Mrv1652305271900232D          

  9  9  0  0  0  0            999 V2000
    0.0000    0.1845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7114   -0.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7152   -0.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0037    1.0051    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7114   -1.0502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7152   -1.0502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7039    1.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7152    1.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.4680    0.0000 C   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
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6  9  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB005128

> <DATABASE_NAME>
foodb

> <SMILES>
CN(C)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3

> <INCHI_KEY>
JLTDJTHDQAWBAV-UHFFFAOYSA-N

> <FORMULA>
C8H11N

> <MOLECULAR_WEIGHT>
121.1796

> <EXACT_MASS>
121.089149357

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
20

> <JCHEM_AVERAGE_POLARIZABILITY>
14.313161482170822

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N,N-dimethylaniline

> <ALOGPS_LOGP>
2.05

> <JCHEM_LOGP>
2.0812896746666665

> <ALOGPS_LOGS>
-0.92

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
5.02458858699553

> <JCHEM_POLAR_SURFACE_AREA>
3.24

> <JCHEM_REFRACTIVITY>
40.486599999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.44e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dimethylaniline

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB005128

> <GENERIC_NAME>
N,N-Dimethylaniline

$$$$