Mrv1652303202019002D 23 22 0 0 0 0 999 V2000 25.2355 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5210 -7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8065 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0921 -7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3776 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6631 -7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9487 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2342 -7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5197 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8052 -7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0908 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3763 -7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6618 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9474 -7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2329 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5184 -7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8039 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0895 -7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3750 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6605 -7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9499 -7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6644 -7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3789 -7.5572 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 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 18 19 1 0 0 0 0 19 20 1 0 0 0 0 1 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 M END > <DATABASE_ID> CDB000160 > <DATABASE_NAME> CDB > <SMILES> CCCCCCCCCCCCCCCCCCCCCCC > <INCHI_IDENTIFIER> InChI=1S/C23H48/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3 > <INCHI_KEY> FIGVVZUWCLSUEI-UHFFFAOYSA-N > <FORMULA> C23H48 > <MOLECULAR_WEIGHT> 324.6272 > <EXACT_MASS> 324.375601536 > <JCHEM_ACCEPTOR_COUNT> 0 > <JCHEM_ATOM_COUNT> 71 > <JCHEM_AVERAGE_POLARIZABILITY> 48.38160789233499 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 0 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> tricosane > <ALOGPS_LOGP> 10.30 > <JCHEM_LOGP> 10.688805197666667 > <ALOGPS_LOGS> -7.82 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 0 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_POLAR_SURFACE_AREA> 0.0 > <JCHEM_REFRACTIVITY> 107.62519999999999 > <JCHEM_ROTATABLE_BOND_COUNT> 20 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 4.95e-06 g/l > <JCHEM_TRADITIONAL_IUPAC> tricosane > <JCHEM_VEBER_RULE> 0 > <Cannabis Database ID> CDB000160 > <GENERIC_NAME> Tricosane $$$$