Mrv1652304272019202D 10 11 0 0 0 0 999 V2000 -0.7930 -2.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7182 -0.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9645 -1.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 -0.1715 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 7 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 10 1 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 8 10 1 0 0 0 0 M END > <DATABASE_ID> CDB006012 > <DATABASE_NAME> CDB > <SMILES> CC1=CNC2=C1C=CC=N2 > <INCHI_IDENTIFIER> InChI=1S/C8H8N2/c1-6-5-10-8-7(6)3-2-4-9-8/h2-5H,1H3,(H,9,10) > <INCHI_KEY> PKZDPOGLGBWEGP-UHFFFAOYSA-N > <FORMULA> C8H8N2 > <MOLECULAR_WEIGHT> 132.166 > <EXACT_MASS> 132.068748266 > <JCHEM_ACCEPTOR_COUNT> 1 > <JCHEM_ATOM_COUNT> 18 > <JCHEM_AVERAGE_POLARIZABILITY> 14.304983486584156 > <JCHEM_BIOAVAILABILITY> 1 > <JCHEM_DONOR_COUNT> 1 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> 3-methyl-1H-pyrrolo[2,3-b]pyridine > <ALOGPS_LOGP> 1.82 > <JCHEM_LOGP> 1.735218826333333 > <ALOGPS_LOGS> -1.31 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 2 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA_STRONGEST_ACIDIC> 16.686729741031957 > <JCHEM_PKA_STRONGEST_BASIC> 3.438164834776814 > <JCHEM_POLAR_SURFACE_AREA> 28.68 > <JCHEM_REFRACTIVITY> 39.9814 > <JCHEM_ROTATABLE_BOND_COUNT> 0 > <JCHEM_RULE_OF_FIVE> 1 > <ALOGPS_SOLUBILITY> 6.52e+00 g/l > <JCHEM_TRADITIONAL_IUPAC> 3-methyl-1H-pyrrolo[2,3-b]pyridine > <JCHEM_VEBER_RULE> 1 > <Cannabis Database ID> CDB006012 > <GENERIC_NAME> 3-Methyl-7-azaindole $$$$