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Showing structure for FDB023064 (Nitrite)
Mrv1652305221920592D 3 2 0 0 0 0 999 V2000 1.9520 -1.1270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6664 -0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 M CHG 1 3 -1 M END > <DATABASE_ID> FDB023064 > <DATABASE_NAME> foodb > <SMILES> [O-]N=O > <INCHI_IDENTIFIER> InChI=1S/HNO2/c2-1-3/h(H,2,3)/p-1 > <INCHI_KEY> IOVCWXUNBOPUCH-UHFFFAOYSA-M > <FORMULA> NO2 > <MOLECULAR_WEIGHT> 46.0055 > <EXACT_MASS> 45.992903249 > <JCHEM_ACCEPTOR_COUNT> 3 > <JCHEM_ATOM_COUNT> 3 > <JCHEM_AVERAGE_POLARIZABILITY> 2.4448587770475987 > <JCHEM_BIOAVAILABILITY> 1 > <JCHEM_DONOR_COUNT> 0 > <JCHEM_FORMAL_CHARGE> -1 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> nitrite > <JCHEM_LOGP> 0.166137638 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 0 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA_STRONGEST_BASIC> -3.46791021358391 > <JCHEM_POLAR_SURFACE_AREA> 52.49 > <JCHEM_REFRACTIVITY> 7.6 > <JCHEM_ROTATABLE_BOND_COUNT> 0 > <JCHEM_RULE_OF_FIVE> 1 > <JCHEM_TRADITIONAL_IUPAC> nitrite > <JCHEM_VEBER_RULE> 0 $$$$
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Structure for FDB023064 (Nitrite)