Mrv1533004171515522D          

 10 11  0  0  0  0            999 V2000
    4.0668    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
  2 10  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM059586

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1=CC=C2C=CNC2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C9H9N/c1-7-2-3-8-4-5-10-9(8)6-7/h2-6,10H,1H3

> <INCHI_KEY>
ONYNOPPOVKYGRS-UHFFFAOYSA-N

> <FORMULA>
C9H9N

> <MOLECULAR_WEIGHT>
131.178

> <EXACT_MASS>
131.073499294

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
19

> <JCHEM_AVERAGE_POLARIZABILITY>
15.019399611793753

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-methyl-1H-indole

> <ALOGPS_LOGP>
2.59

> <JCHEM_LOGP>
2.5854291983333333

> <ALOGPS_LOGS>
-1.69

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.636147382083376

> <JCHEM_POLAR_SURFACE_AREA>
15.79

> <JCHEM_REFRACTIVITY>
42.1857

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.68e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-methyl-1H-indole

> <JCHEM_VEBER_RULE>
1

> <NAME>
1H-Indole, 6-methyl-

> <CAS>
08-02-20

> <SYNONYMS>
02/08/3420; 08.02.3420; 08/02/20; 08/02/3420; 109708; 1H-imidazole, 2-ethyl-5-methyl-; 1H-Indole, 6-methyl-; 2/8/3420; 2/8/3420 12:00:00 AM; 3420-02-8; 3420-02-8?; 3420-2-8; 3420/2/8; 555208; 6-Methyl indole; 6-Methyl-1H-indole; 6-Methyl-indole; 6-Methylindole; 6-Methylindole (en); 6-methylindolyl; IN-0032; Indole, 6-methyl-; M-3930; n / a; ONYNOPPOVKYGRS-UHFFFAOYSA-N; SBB047999; [3420-02-8]

$$$$