Mrv1652304272018582D 11 12 0 0 0 0 999 V2000 -0.7930 2.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2451 -0.3805 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 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7182 0.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9645 1.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.7145 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 -1.6320 0.1715 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 11 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 9 2 0 0 0 0 6 10 2 0 0 0 0 7 8 2 0 0 0 0 7 11 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 M END > <DATABASE_ID> CDB005808 > <DATABASE_NAME> CDB > <SMILES> CN1C=C(C)C2=CC=CC=C12 > <INCHI_IDENTIFIER> InChI=1S/C10H11N/c1-8-7-11(2)10-6-4-3-5-9(8)10/h3-7H,1-2H3 > <INCHI_KEY> NAPPMSNSLWACIV-UHFFFAOYSA-N > <FORMULA> C10H11N > <MOLECULAR_WEIGHT> 145.205 > <EXACT_MASS> 145.089149358 > <JCHEM_ACCEPTOR_COUNT> 0 > <JCHEM_ATOM_COUNT> 22 > <JCHEM_AVERAGE_POLARIZABILITY> 17.063292699943005 > <JCHEM_BIOAVAILABILITY> 1 > <JCHEM_DONOR_COUNT> 0 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> 1,3-dimethyl-1H-indole > <ALOGPS_LOGP> 2.90 > <JCHEM_LOGP> 2.809105264 > <ALOGPS_LOGS> -2.39 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 2 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_POLAR_SURFACE_AREA> 4.93 > <JCHEM_REFRACTIVITY> 47.0824 > <JCHEM_ROTATABLE_BOND_COUNT> 0 > <JCHEM_RULE_OF_FIVE> 1 > <ALOGPS_SOLUBILITY> 5.97e-01 g/l > <JCHEM_TRADITIONAL_IUPAC> 1H-indole, 1,3-dimethyl- > <JCHEM_VEBER_RULE> 1 > <Cannabis Database ID> CDB005808 > <GENERIC_NAME> 4-Deuterio-1,3-dimethylindole $$$$