Mrv1909 02102020372D          

 13 15  0  0  0  0            999 V2000
    0.0000    0.9413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6674    0.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4124   -0.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6674    0.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9645   -0.9413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7714   -0.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0264    0.0149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4744    0.6280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9645   -0.9413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4744    0.6280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0264    0.0149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7715   -0.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 11  2  0  0  0  0
  6  3  2  0  0  0  0
  4  3  1  0  0  0  0
  1  4  1  0  0  0  0
  9  4  2  0  0  0  0
  5  2  1  0  0  0  0
  3  5  1  0  0  0  0
 10  5  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
> <DATABASE_ID>
DB07301

> <DATABASE_NAME>
drugbank

> <SMILES>
N1C2=CC=CC=C2C2=CC=CC=C12

> <INCHI_IDENTIFIER>
InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H

> <INCHI_KEY>
UJOBWOGCFQCDNV-UHFFFAOYSA-N

> <FORMULA>
C12H9N

> <MOLECULAR_WEIGHT>
167.2066

> <EXACT_MASS>
167.073499293

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
22

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-1.0620216856902282e-08

> <JCHEM_AVERAGE_POLARIZABILITY>
18.81626700562974

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
9H-carbazole

> <ALOGPS_LOGP>
3.69

> <JCHEM_LOGP>
3.0908856893333327

> <ALOGPS_LOGS>
-3.40

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.973866610582505

> <JCHEM_POLAR_SURFACE_AREA>
15.79

> <JCHEM_REFRACTIVITY>
53.47220000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.69e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
nadph

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB07301

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Carbazole

> <SYNONYMS>
9-Azafluorene; 9H-Carbazole; Dibenzopyrrole; Diphenylenimide

$$$$