Mrv1652307312018382D 25 24 0 0 1 0 999 V2000 11.2480 -6.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9664 -6.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5374 -5.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9625 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2519 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6770 -6.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3914 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1059 -6.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8204 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5349 -6.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2493 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9638 -6.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6783 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3927 -6.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1072 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8217 -6.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5362 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2506 -6.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9651 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6796 -6.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3940 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1085 -6.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8230 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5374 -6.0177 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 26.2519 -5.6052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 14 13 1 0 0 0 0 15 14 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 23 22 1 0 0 0 0 24 3 1 1 0 0 0 24 5 1 0 0 0 0 24 23 1 0 0 0 0 24 25 1 6 0 0 0 M END > <DATABASE_ID> CDB000253 > <DATABASE_NAME> CDB > <SMILES> [H][C@](C)(CC)CCCCCCCCCCCCCCCCCCCC > <INCHI_IDENTIFIER> InChI=1S/C24H50/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(3)5-2/h24H,4-23H2,1-3H3/t24-/m0/s1 > <INCHI_KEY> WCAGWYVPTZQWEN-DEOSSOPVSA-N > <FORMULA> C24H50 > <MOLECULAR_WEIGHT> 338.664 > <EXACT_MASS> 338.39125161 > <JCHEM_ACCEPTOR_COUNT> 0 > <JCHEM_ATOM_COUNT> 74 > <JCHEM_AVERAGE_POLARIZABILITY> 50.16877476303612 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 0 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (3S)-3-methyltricosane > <ALOGPS_LOGP> 10.48 > <JCHEM_LOGP> 10.975824294 > <ALOGPS_LOGS> -7.89 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 0 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_POLAR_SURFACE_AREA> 0.0 > <JCHEM_REFRACTIVITY> 112.17379999999999 > <JCHEM_ROTATABLE_BOND_COUNT> 20 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 4.33e-06 g/l > <JCHEM_TRADITIONAL_IUPAC> (3S)-3-methyltricosane > <JCHEM_VEBER_RULE> 0 > <Cannabis Database ID> CDB000253 > <GENERIC_NAME> 3-Methyl-tricosane $$$$