Mrv1652309272007352D          

 16 15  0  0  0  0            999 V2000
   -3.9296   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6440   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3585   -1.6499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6440   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  1 14  1  0  0  0  0
 14 16  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM003559

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCCCCCCCCCCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)

> <INCHI_KEY>
TUNFSRHWOTWDNC-UHFFFAOYSA-N

> <FORMULA>
C14H28O2

> <MOLECULAR_WEIGHT>
228.3709

> <EXACT_MASS>
228.20893014

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
30.096995398489902

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
tetradecanoic acid

> <ALOGPS_LOGP>
6.10

> <JCHEM_LOGP>
5.367445447666666

> <ALOGPS_LOGS>
-5.12

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.952019655228562

> <JCHEM_POLAR_SURFACE_AREA>
37.3

> <JCHEM_REFRACTIVITY>
67.88159999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.72e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
myristic acid

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D4599

> <NAME>
Myristic acid

> <CAS>
544-63-8

> <SYNONYMS>
1,2-Benzenedicarboxylic acid, di-C6-14-branched and linear alkyl esters; 1-Tridecanecarboxylate; 1-Tridecanecarboxylic acid; 2-propanol, 1,1',1''-nitrilotris-, compds. with ethanol 2-[2-(C12-14-alkyloxy)ethoxy] derivs. hydrogen sulfates; 2-Propenoic acid, .gamma.-.omega.-perfluorofluoroC10 - C14 ester, polymer with ., 2-hydroxyethyl acrylate, and 2-methyloxirane polymer with oxirane mono(methacrylate); 2-Propenoic acid, 2-methyl-, 2-[methyl[(.gamma.-.omega.-perfluoro-C8-14-alkyl)sulfonyl]amino]ethyl esters, reaction products with polyethylene glycol bis(2-mercaptoacetate); 2-Propenoic acid, 2-methyl-, C11-14-isoalkyl esters, C13-rich; Alcohols, C12-14-secondary, ethoxylated; Alcohols, C14-15, ethoxylated; Alkanes, C14-17, chloro; Alkanes, C14-17, chloro-; Amines, C11-14-branched and linear alkyl; Amines, C12-14-alkyl, C6-10-alkyl phosphates; Amines, C12-14-alkyl, isooctyl phosphates; Amines, C12-14-alkyldimethyl; Amines, C12-14-tert-alkyl, 2-[[bis(1,3-dimethylbutoxy)phosphinothioyl]thio]methylethyl phosphates; Amines, C12-14-tert-alkyl, di-Me phosphates; Amines, C12-14-tert-alkyl, isooctyl phosphates; Amines, C12-14-tert-alkyl, sulfamates; Benzene, C14-24-branched and linear alkyl derivs.; Benzene, mono C14-16 alkyl derivs.; Benzene, mono-C10-14-alkyl derivs., fractionation bottoms; Benzene, mono-C12-14-alkyl derivs., fractionation bottoms; Benzenesulfonic acid, C14-24-branched and linear alkyl derivs.; Benzenesulfonic acid, C14-24-branched and linear alkyl derivs., barium salts, overbased; Benzenesulfonic acid, C14-24-branched and linear alkyl derivs., calcium salts, overbased; Benzenesulfonic acid, mono-C14-24-branched alkyl and di-C10-14-branched alkyl derivs.; Benzenesulfonic acid, mono-C14-24-branched alkyl and di-C10-14-branched alkyl derivs., calcium salts; Boric acid (H3BO3), C11-14-isoalkyl pentyl esters, C13-rich; Crodacid; Fatty acids, C14-18, ethoxylated propoxylated; Fatty acids, C14-26; Fatty acids, linseed-oil, .gamma.-.omega.-perfluoro-C8-14-alkyl esters; Glycerides, C14-18 mono- and di-; Molybdenum, N,N-bis(C11-14-branched and linear alkyl)carbamodithioate oxo thioxo complexes; Myristate; myristate; Myristic acid pure; Myristoate; Myristoic acid; N-Tetradecan-1-oate; N-Tetradecan-1-oic acid; N-Tetradecanoate; N-Tetradecanoic acid; Phosphoric acid, C11-14-isoalkyl esters, C13-rich; Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-(iminodi-2,1-e thanediyl)bis[.omega.-hydroxy-, N-[3-[(C13-rich C11-14-isoalkyl)oxy]propyl] derivs.; Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, mono-C11-14-isoalkyl ethers, C13-rich, phosphates; Propanenitrile, 3-(C11-14-isoalkyloxy) derivs., C13-rich; Schiff bases, C12-14-alkyl methylene; Sodium sulfonates, C14-16-alkane hydroxy and C14-16-alkene; Sulfonic acids, C12-14-alkane hydroxy and C12-14-alkene, sodium salts (C12-14 =/OHASO3 Na); Sulfuric acid, mono-C12-14-alkyl esters, compounds with ethanolamine (C12-14 ASO4 MEA); Sulfuric acid, mono-C8-14-alkyl esters, ammonium salts (C8-14 ASO4 NH4); Sulfuric acid, mono-C8-14-alkyl esters, lithium salts (C8-14 ASO4 Li); Sulfuric acids, mono-C12-14-alkyl esters, magnesium salts (C12-14 ASO4 Mg); Sulfuric acids, mono-C8-14-alkyl esters, compounds with triethanolamine (C8-14 ASO4 TEA); Tetradecanoate; Tetradecanoic (Myristic) acid; Tetradecanoic acid; tetradecanoic acid

> <TYPES>
Organic Compound; Food Toxin; Plant Toxin; Metabolite; Cosmetic Toxin; Household Toxin; Animal Toxin; Natural Compound

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