Mrv1572004221604142D          

 20 20  0  0  0  0            999 V2000
    7.9001    4.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6145    4.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3290    4.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0435    4.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7579    4.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4724    4.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1869    4.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9014    4.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6158    4.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3303    4.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2451    5.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8326    6.0844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0448    4.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9437    4.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0168    6.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7592    4.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1554    4.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4121    5.6463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4737    4.8236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6441    5.9477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
 19 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM017774

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCCCCCCCCCN1CCCCCC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-13-16-19-17-14-11-12-15-18(19)20/h2-17H2,1H3

> <INCHI_KEY>
AXTGDCSMTYGJND-UHFFFAOYSA-N

> <FORMULA>
C18H35NO

> <MOLECULAR_WEIGHT>
281.484

> <EXACT_MASS>
281.271864751

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
55

> <JCHEM_AVERAGE_POLARIZABILITY>
37.309831726445594

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-dodecylazepan-2-one

> <ALOGPS_LOGP>
5.32

> <JCHEM_LOGP>
5.413652432

> <ALOGPS_LOGS>
-5.73

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-0.8856997783853683

> <JCHEM_POLAR_SURFACE_AREA>
20.310000000000002

> <JCHEM_REFRACTIVITY>
87.03819999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.26e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
laurocapram

> <JCHEM_VEBER_RULE>
0

> <NAME>
Laurocapram

> <CAS>
59227-89-3

> <SYNONYMS>
1-dodecylazepan-2-one

$$$$