Mrv0541 02231219002D          

 10 10  0  0  0  0            999 V2000
   -0.2813    0.0075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9866   -0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4352   -0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2851    0.8253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9866   -1.2267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4352   -1.2267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4165    1.2267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2813   -1.6431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1217    0.8178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4165    2.0145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB022512

> <DATABASE_NAME>
foodb

> <SMILES>
CC(=O)NC1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)

> <INCHI_KEY>
FZERHIULMFGESH-UHFFFAOYSA-N

> <FORMULA>
C8H9NO

> <MOLECULAR_WEIGHT>
135.1632

> <EXACT_MASS>
135.068413915

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
14.522900464189632

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-phenylacetamide

> <ALOGPS_LOGP>
1.05

> <JCHEM_LOGP>
1.2109561833333333

> <ALOGPS_LOGS>
-1.53

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.376039687049719

> <JCHEM_PKA_STRONGEST_BASIC>
-4.385291195860851

> <JCHEM_POLAR_SURFACE_AREA>
29.1

> <JCHEM_REFRACTIVITY>
40.921

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.03e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
acetanilide

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB022512

> <GENERIC_NAME>
N-Acetylarylamine

$$$$