Mrv1652309272007442D 12 12 0 0 0 0 999 V2000 0.5806 1.9299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1337 1.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1337 0.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5806 0.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2951 0.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2951 1.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8481 1.9298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5626 1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8481 0.2798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0096 1.9299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7241 1.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4385 1.9299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 6 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 3 9 1 0 0 0 0 M END > <DATABASE_ID> CDB000055 > <DATABASE_NAME> CDB > <SMILES> COC1=CC(CC=C)=CC=C1O > <INCHI_IDENTIFIER> InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3 > <INCHI_KEY> RRAFCDWBNXTKKO-UHFFFAOYSA-N > <FORMULA> C10H12O2 > <MOLECULAR_WEIGHT> 164.2011 > <EXACT_MASS> 164.083729628 > <JCHEM_ACCEPTOR_COUNT> 2 > <JCHEM_ATOM_COUNT> 24 > <JCHEM_AVERAGE_POLARIZABILITY> 17.896536620818402 > <JCHEM_BIOAVAILABILITY> 1 > <JCHEM_DONOR_COUNT> 1 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 1 > <JCHEM_IUPAC> 2-methoxy-4-(prop-2-en-1-yl)phenol > <ALOGPS_LOGP> 2.66 > <JCHEM_LOGP> 2.6105799616666663 > <ALOGPS_LOGS> -2.06 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 1 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA_STRONGEST_ACIDIC> 9.941818320747016 > <JCHEM_PKA_STRONGEST_BASIC> -4.892303223457161 > <JCHEM_POLAR_SURFACE_AREA> 29.46 > <JCHEM_REFRACTIVITY> 48.7894 > <JCHEM_ROTATABLE_BOND_COUNT> 3 > <JCHEM_RULE_OF_FIVE> 1 > <ALOGPS_SOLUBILITY> 1.44e+00 g/l > <JCHEM_TRADITIONAL_IUPAC> eugenol > <JCHEM_VEBER_RULE> 1 > <Cannabis Database ID> CDB000055 > <GENERIC_NAME> Eugenol $$$$