Mrv1652307282022162D 13 14 0 0 0 0 999 V2000 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 5 4 2 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 6 2 0 0 0 0 10 7 1 0 0 0 0 11 8 2 0 0 0 0 11 10 1 0 0 0 0 12 9 2 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 M END > <DATABASE_ID> CDB006226 > <DATABASE_NAME> CDB > <SMILES> OC1=CC=CC=C1C1=CC=CC=C1 > <INCHI_IDENTIFIER> InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H > <INCHI_KEY> LLEMOWNGBBNAJR-UHFFFAOYSA-N > <FORMULA> C12H10O > <MOLECULAR_WEIGHT> 170.2072 > <EXACT_MASS> 170.073164942 > <JCHEM_ACCEPTOR_COUNT> 1 > <JCHEM_ATOM_COUNT> 23 > <JCHEM_AVERAGE_POLARIZABILITY> 18.74849701884903 > <JCHEM_BIOAVAILABILITY> 1 > <JCHEM_DONOR_COUNT> 1 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 1 > <JCHEM_IUPAC> [1,1'-biphenyl]-2-ol > <ALOGPS_LOGP> 3.21 > <JCHEM_LOGP> 3.3169058563333325 > <ALOGPS_LOGS> -2.70 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 2 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA_STRONGEST_ACIDIC> 9.694701154115933 > <JCHEM_PKA_STRONGEST_BASIC> -5.581792442774259 > <JCHEM_POLAR_SURFACE_AREA> 20.23 > <JCHEM_REFRACTIVITY> 53.17510000000001 > <JCHEM_ROTATABLE_BOND_COUNT> 1 > <JCHEM_RULE_OF_FIVE> 1 > <ALOGPS_SOLUBILITY> 3.37e-01 g/l > <JCHEM_TRADITIONAL_IUPAC> o-phenylphenol > <JCHEM_VEBER_RULE> 1 > <Cannabis Database ID> CDB006226 > <GENERIC_NAME> O-Phenylphenol $$$$