Mrv1652304272018422D 5 4 0 0 0 0 999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.8250 0.0000 O 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 2 0 0 0 0 3 5 1 0 0 0 0 M END > <DATABASE_ID> CDB005659 > <DATABASE_NAME> CDB > <SMILES> CCC(O)=N > <INCHI_IDENTIFIER> InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5) > <INCHI_KEY> QLNJFJADRCOGBJ-UHFFFAOYSA-N > <FORMULA> C3H7NO > <MOLECULAR_WEIGHT> 73.0938 > <EXACT_MASS> 73.052763851 > <JCHEM_ACCEPTOR_COUNT> 1 > <JCHEM_ATOM_COUNT> 12 > <JCHEM_AVERAGE_POLARIZABILITY> 7.630065687439061 > <JCHEM_BIOAVAILABILITY> 1 > <JCHEM_DONOR_COUNT> 1 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> propanamide > <ALOGPS_LOGP> -0.64 > <JCHEM_LOGP> -0.3297524810000001 > <ALOGPS_LOGS> -0.95 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 0 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA_STRONGEST_ACIDIC> 16.86181019456188 > <JCHEM_PKA_STRONGEST_BASIC> -1.5535251997308577 > <JCHEM_POLAR_SURFACE_AREA> 43.09 > <JCHEM_REFRACTIVITY> 19.092800000000004 > <JCHEM_ROTATABLE_BOND_COUNT> 1 > <JCHEM_RULE_OF_FIVE> 1 > <ALOGPS_SOLUBILITY> 8.14e+00 g/l > <JCHEM_TRADITIONAL_IUPAC> propionamide > <JCHEM_VEBER_RULE> 0 > <Cannabis Database ID> CDB005659 > <GENERIC_NAME> Propionamide $$$$