Mrv1652304272019312D 23 28 0 0 0 0 999 V2000 -1.6500 -1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5375 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 -0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 8 1 0 0 0 0 4 6 2 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 2 0 0 0 0 6 14 1 0 0 0 0 7 15 2 0 0 0 0 8 16 2 0 0 0 0 9 18 2 0 0 0 0 10 17 2 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 13 20 2 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 20 1 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 20 23 1 0 0 0 0 21 23 2 0 0 0 0 22 23 1 0 0 0 0 M END > <DATABASE_ID> CDB006117 > <DATABASE_NAME> CDB > <SMILES> CC1=C2C3=C4C(=CC=CC4=C1)C1=C3C(=CC=C1)C1=CC=CC=C21 > <INCHI_IDENTIFIER> InChI=1S/C23H14/c1-13-12-14-6-4-9-18-19-11-5-10-17-15-7-2-3-8-16(15)20(13)23(21(14)18)22(17)19/h2-12H,1H3 > <INCHI_KEY> BZUQKWUPVJFYCC-UHFFFAOYSA-N > <FORMULA> C23H14 > <MOLECULAR_WEIGHT> 290.365 > <EXACT_MASS> 290.109550451 > <JCHEM_ACCEPTOR_COUNT> 0 > <JCHEM_ATOM_COUNT> 37 > <JCHEM_AVERAGE_POLARIZABILITY> 34.11852594159413 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 0 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> 15-methylhexacyclo[12.8.0.0^{2,7}.0^{3,21}.0^{8,13}.0^{17,22}]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene > <ALOGPS_LOGP> 7.03 > <JCHEM_LOGP> 6.118553777999999 > <ALOGPS_LOGS> -8.49 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 6 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_POLAR_SURFACE_AREA> 0.0 > <JCHEM_REFRACTIVITY> 95.97819999999996 > <JCHEM_ROTATABLE_BOND_COUNT> 0 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 9.41e-07 g/l > <JCHEM_TRADITIONAL_IUPAC> 15-methylhexacyclo[12.8.0.0^{2,7}.0^{3,21}.0^{8,13}.0^{17,22}]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene > <JCHEM_VEBER_RULE> 1 > <Cannabis Database ID> CDB006117 > <GENERIC_NAME> methyl-dibenzo[b, m n o] fluoranthene $$$$