Mrv1652304272019252D          

 13 15  0  0  0  0            999 V2000
   -2.4139   -0.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3884   -1.4744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2247   -2.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7018    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2169    0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3369   -1.6320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0014   -0.8783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2169   -0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0093   -1.7715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1809   -0.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5678   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5678    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7238   -2.1840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  3  2  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  2  0  0  0  0
  5 12  2  0  0  0  0
  6  7  2  0  0  0  0
  6 13  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB006063

> <DATABASE_NAME>
CDB

> <SMILES>
CC1=CN=C2C=CC3=CC=NC3=C12

> <INCHI_IDENTIFIER>
InChI=1S/C11H8N2/c1-7-6-13-9-3-2-8-4-5-12-11(8)10(7)9/h2-6H,1H3

> <INCHI_KEY>
QZEAZJKQMAITHW-UHFFFAOYSA-N

> <FORMULA>
C11H8N2

> <MOLECULAR_WEIGHT>
168.199

> <EXACT_MASS>
168.068748266

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
21

> <JCHEM_AVERAGE_POLARIZABILITY>
18.18901603565735

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
8-methylpyrrolo[2,3-g]indole

> <ALOGPS_LOGP>
2.24

> <JCHEM_LOGP>
0.6582007893333333

> <ALOGPS_LOGS>
-2.71

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
6.43580075236243

> <JCHEM_POLAR_SURFACE_AREA>
24.72

> <JCHEM_REFRACTIVITY>
55.68950000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.27e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
8-methylpyrrolo[2,3-g]indole

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB006063

> <GENERIC_NAME>
Methylpyriloindole

$$$$