Mrv1652304272019222D 14 15 0 0 0 0 999 V2000 -1.6500 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 3.5724 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 0.4125 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 -0.4125 2.1434 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 -2.0625 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 -0.4125 0.7144 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 -0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 1.4290 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 10 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 4 8 1 0 0 0 0 5 11 2 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 12 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 2 0 0 0 0 M END > <DATABASE_ID> CDB006030 > <DATABASE_NAME> CDB > <SMILES> CCC1=CN=C(C=C1)C1=CC=CC=N1 > <INCHI_IDENTIFIER> InChI=1S/C12H12N2/c1-2-10-6-7-12(14-9-10)11-5-3-4-8-13-11/h3-9H,2H2,1H3 > <INCHI_KEY> VNSRQVFVGLOHNM-UHFFFAOYSA-N > <FORMULA> C12H12N2 > <MOLECULAR_WEIGHT> 184.242 > <EXACT_MASS> 184.100048394 > <JCHEM_ACCEPTOR_COUNT> 2 > <JCHEM_ATOM_COUNT> 26 > <JCHEM_AVERAGE_POLARIZABILITY> 21.039238804254598 > <JCHEM_BIOAVAILABILITY> 1 > <JCHEM_DONOR_COUNT> 0 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 1 > <JCHEM_IUPAC> 5-ethyl-2,2'-bipyridine > <ALOGPS_LOGP> 2.73 > <JCHEM_LOGP> 2.9148170296666667 > <ALOGPS_LOGS> -2.21 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 2 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA_STRONGEST_BASIC> 3.546837204746303 > <JCHEM_POLAR_SURFACE_AREA> 25.78 > <JCHEM_REFRACTIVITY> 55.778600000000004 > <JCHEM_ROTATABLE_BOND_COUNT> 2 > <JCHEM_RULE_OF_FIVE> 1 > <ALOGPS_SOLUBILITY> 1.12e+00 g/l > <JCHEM_TRADITIONAL_IUPAC> 5-ethyl-2,2'-bipyridine > <JCHEM_VEBER_RULE> 1 > <Cannabis Database ID> CDB006030 > <GENERIC_NAME> ethyl-bipyridine $$$$