Mrv1652303202019012D 11 12 0 0 0 0 999 V2000 0.2652 -0.9723 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4493 -1.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4493 -2.2098 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2652 -2.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9796 -2.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9796 -1.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6941 -0.9723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6941 -0.1473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2462 -1.5983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 -0.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2652 -1.7973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 11 1 6 0 0 0 1 11 1 6 0 0 0 M END > <DATABASE_ID> CDB000718 > <DATABASE_NAME> CDB > <SMILES> CC1(C)[C@H]2C[C@@H]1C(CO)=CC2 > <INCHI_IDENTIFIER> InChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3/t8-,9-/m1/s1 > <INCHI_KEY> RXBQNMWIQKOSCS-RKDXNWHRSA-N > <FORMULA> C10H16O > <MOLECULAR_WEIGHT> 152.2334 > <EXACT_MASS> 152.120115134 > <JCHEM_ACCEPTOR_COUNT> 1 > <JCHEM_ATOM_COUNT> 27 > <JCHEM_AVERAGE_POLARIZABILITY> 18.119387994411625 > <JCHEM_BIOAVAILABILITY> 1 > <JCHEM_DONOR_COUNT> 1 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> [(1S,5R)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methanol > <ALOGPS_LOGP> 2.71 > <JCHEM_LOGP> 1.520890289666667 > <ALOGPS_LOGS> -1.96 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 2 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA_STRONGEST_ACIDIC> 17.097551942460488 > <JCHEM_PKA_STRONGEST_BASIC> -1.8813307803677821 > <JCHEM_POLAR_SURFACE_AREA> 20.23 > <JCHEM_REFRACTIVITY> 46.497 > <JCHEM_ROTATABLE_BOND_COUNT> 1 > <JCHEM_RULE_OF_FIVE> 1 > <ALOGPS_SOLUBILITY> 1.67e+00 g/l > <JCHEM_TRADITIONAL_IUPAC> [(1S,5R)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methanol > <JCHEM_VEBER_RULE> 1 > <Cannabis Database ID> CDB000718 > <GENERIC_NAME> Myrtenol $$$$