Mrv1572004191602132D          

 17 18  0  0  0  0            999 V2000
    4.9177    3.2977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    4.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5682    1.5907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6383   -0.3254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9739    0.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8178   -0.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4890    1.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    0.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1331    3.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    3.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0531    2.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6685    1.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8781    2.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3631    1.5907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1836    1.6769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0275    0.8370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7982    3.0428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  2  0  0  0  0
  9  1  1  0  0  0  0
 10  2  1  0  0  0  0
 10  9  2  0  0  0  0
 11  3  1  0  0  0  0
 12  7  2  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 13 11  2  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  4  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 10  1  0  0  0  0
 17 11  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM008043

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1=C(C)C(C(O)=NC2=CC=CC=C2)=C(C)O1

> <INCHI_IDENTIFIER>
InChI=1S/C14H15NO2/c1-9-10(2)17-11(3)13(9)14(16)15-12-7-5-4-6-8-12/h4-8H,1-3H3,(H,15,16)

> <INCHI_KEY>
ZWJNEYVWPYIKMB-UHFFFAOYSA-N

> <FORMULA>
C14H15NO2

> <MOLECULAR_WEIGHT>
229.279

> <EXACT_MASS>
229.110278727

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
32

> <JCHEM_AVERAGE_POLARIZABILITY>
25.664887433920033

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2,4,5-trimethyl-N-phenylfuran-3-carboximidic acid

> <ALOGPS_LOGP>
3.19

> <JCHEM_LOGP>
3.845376847666667

> <ALOGPS_LOGS>
-3.67

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.403189222162368

> <JCHEM_PKA_STRONGEST_BASIC>
0.570627032321334

> <JCHEM_POLAR_SURFACE_AREA>
45.730000000000004

> <JCHEM_REFRACTIVITY>
70.20060000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.93e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,4,5-trimethyl-N-phenylfuran-3-carboximidic acid

> <JCHEM_VEBER_RULE>
0

> <NAME>
Methfuroxam

> <CAS>
28730-17-8

> <SYNONYMS>
2,4,5-trimethyl-N-phenylfuran-3-carboxamide

$$$$