Mrv1652304272018532D 18 17 0 0 0 0 999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4304 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1449 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8593 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5739 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2883 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0028 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7173 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4318 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1462 0.4125 0.0000 O 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 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 M END > <DATABASE_ID> CDB005767 > <DATABASE_NAME> CDB > <SMILES> CCCCCCCCCCCCCCCCCO > <INCHI_IDENTIFIER> InChI=1S/C17H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h18H,2-17H2,1H3 > <INCHI_KEY> GOQYKNQRPGWPLP-UHFFFAOYSA-N > <FORMULA> C17H36O > <MOLECULAR_WEIGHT> 256.4671 > <EXACT_MASS> 256.276615774 > <JCHEM_ACCEPTOR_COUNT> 1 > <JCHEM_ATOM_COUNT> 54 > <JCHEM_AVERAGE_POLARIZABILITY> 36.51702113489404 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 1 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> heptadecan-1-ol > <ALOGPS_LOGP> 7.82 > <JCHEM_LOGP> 6.584714590999999 > <ALOGPS_LOGS> -6.55 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 0 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA_STRONGEST_ACIDIC> 16.84394282199214 > <JCHEM_PKA_STRONGEST_BASIC> -1.9922594096606376 > <JCHEM_POLAR_SURFACE_AREA> 20.23 > <JCHEM_REFRACTIVITY> 81.94789999999999 > <JCHEM_ROTATABLE_BOND_COUNT> 15 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 7.31e-05 g/l > <JCHEM_TRADITIONAL_IUPAC> heptadecyl alcohol > <JCHEM_VEBER_RULE> 0 > <Cannabis Database ID> CDB005767 > <GENERIC_NAME> n-heptadecanol $$$$