Mrv1652304272019182D 10 11 0 0 0 0 999 V2000 0.6674 1.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.9840 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 -0.8250 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 -0.6674 1.4991 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 -1.4521 1.7540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 6 2 0 0 0 0 4 9 2 0 0 0 0 5 7 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 10 2 0 0 0 0 M END > <DATABASE_ID> CDB005998 > <DATABASE_NAME> CDB > <SMILES> O=C1CCC2=CC=NC=C12 > <INCHI_IDENTIFIER> InChI=1S/C8H7NO/c10-8-2-1-6-3-4-9-5-7(6)8/h3-5H,1-2H2 > <INCHI_KEY> SMHRJUIZCMDUFN-UHFFFAOYSA-N > <FORMULA> C8H7NO > <MOLECULAR_WEIGHT> 133.15 > <EXACT_MASS> 133.052763849 > <JCHEM_ACCEPTOR_COUNT> 2 > <JCHEM_ATOM_COUNT> 17 > <JCHEM_AVERAGE_POLARIZABILITY> 13.515304244345646 > <JCHEM_BIOAVAILABILITY> 1 > <JCHEM_DONOR_COUNT> 0 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> 5H,6H,7H-cyclopenta[c]pyridin-7-one > <ALOGPS_LOGP> 0.47 > <JCHEM_LOGP> 0.6188835763333335 > <ALOGPS_LOGS> -0.09 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 2 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA_STRONGEST_ACIDIC> 15.432169763019331 > <JCHEM_PKA_STRONGEST_BASIC> 3.7536929247158897 > <JCHEM_POLAR_SURFACE_AREA> 29.96 > <JCHEM_REFRACTIVITY> 37.5688 > <JCHEM_ROTATABLE_BOND_COUNT> 0 > <JCHEM_RULE_OF_FIVE> 1 > <ALOGPS_SOLUBILITY> 1.09e+02 g/l > <JCHEM_TRADITIONAL_IUPAC> 5H,6H-cyclopenta[c]pyridin-7-one > <JCHEM_VEBER_RULE> 1 > <Cannabis Database ID> CDB005998 > <GENERIC_NAME> 5,6-Dihydro-[2]pyrindin-7-one $$$$