Mrv1652304272018132D 10 10 0 0 0 0 999 V2000 -0.4125 2.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.7145 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 -1.6500 0.0000 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 -0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 8 10 2 0 0 0 0 M END > <DATABASE_ID> CDB005366 > <DATABASE_NAME> CDB > <SMILES> CCC1=NC=CN=C1CC > <INCHI_IDENTIFIER> InChI=1S/C8H12N2/c1-3-7-8(4-2)10-6-5-9-7/h5-6H,3-4H2,1-2H3 > <INCHI_KEY> GZXXANJCCWGCSV-UHFFFAOYSA-N > <FORMULA> C8H12N2 > <MOLECULAR_WEIGHT> 136.1943 > <EXACT_MASS> 136.100048394 > <JCHEM_ACCEPTOR_COUNT> 2 > <JCHEM_ATOM_COUNT> 22 > <JCHEM_AVERAGE_POLARIZABILITY> 15.589323908055983 > <JCHEM_BIOAVAILABILITY> 1 > <JCHEM_DONOR_COUNT> 0 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> 2,3-diethylpyrazine > <ALOGPS_LOGP> 1.73 > <JCHEM_LOGP> 1.201712994 > <ALOGPS_LOGS> -0.62 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 1 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA_STRONGEST_BASIC> 1.4068110147677149 > <JCHEM_POLAR_SURFACE_AREA> 25.78 > <JCHEM_REFRACTIVITY> 40.181 > <JCHEM_ROTATABLE_BOND_COUNT> 2 > <JCHEM_RULE_OF_FIVE> 1 > <ALOGPS_SOLUBILITY> 3.24e+01 g/l > <JCHEM_TRADITIONAL_IUPAC> pyrazine, 2,3-diethyl- > <JCHEM_VEBER_RULE> 1 > <Cannabis Database ID> CDB005366 > <GENERIC_NAME> 2,3-Diethylpyrazine $$$$