Mrv1652303202019012D 35 34 0 0 0 0 999 V2000 34.8039 -11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0894 -11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3749 -11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6605 -11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9460 -11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2315 -11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5171 -11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8026 -11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0881 -11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3737 -11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6592 -11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9447 -11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2302 -11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5158 -11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8013 -11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0868 -11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3724 -11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6579 -11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9434 -11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2289 -11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5145 -11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8000 -11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0855 -11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.5184 -11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.2328 -11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.9473 -11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.6618 -11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.3762 -11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.0907 -11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.8052 -11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.5197 -11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.2341 -11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.9486 -11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.6631 -11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.3775 -11.8440 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 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 1 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 M END > <DATABASE_ID> CDB000262 > <DATABASE_NAME> CDB > <SMILES> CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC > <INCHI_IDENTIFIER> InChI=1S/C35H72/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3 > <INCHI_KEY> VHQQPFLOGSTQPC-UHFFFAOYSA-N > <FORMULA> C35H72 > <MOLECULAR_WEIGHT> 492.9462 > <EXACT_MASS> 492.563402304 > <JCHEM_ACCEPTOR_COUNT> 0 > <JCHEM_ATOM_COUNT> 107 > <JCHEM_AVERAGE_POLARIZABILITY> 74.21581769630217 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 0 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> pentatriacontane > <ALOGPS_LOGP> 11.19 > <JCHEM_LOGP> 16.023629177666667 > <ALOGPS_LOGS> -8.02 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 0 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_POLAR_SURFACE_AREA> 0.0 > <JCHEM_REFRACTIVITY> 162.8372 > <JCHEM_ROTATABLE_BOND_COUNT> 32 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 4.76e-06 g/l > <JCHEM_TRADITIONAL_IUPAC> N-pentatriacontane > <JCHEM_VEBER_RULE> 0 > <Cannabis Database ID> CDB000262 > <GENERIC_NAME> pentatriacontane $$$$