Mrv1652305171817452D          

  3  2  0  0  0  0            999 V2000
    1.2375   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -1.1270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D3549

> <DATABASE_NAME>
t3db

> <SMILES>
ON=O

> <INCHI_IDENTIFIER>
InChI=1S/HNO2/c2-1-3/h(H,2,3)

> <INCHI_KEY>
IOVCWXUNBOPUCH-UHFFFAOYSA-N

> <FORMULA>
HNO2

> <MOLECULAR_WEIGHT>
47.0134

> <EXACT_MASS>
47.000728281

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
2.8096222239433186

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
nitrous acid

> <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>
49.660000000000004

> <JCHEM_REFRACTIVITY>
8.7217

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
nitrous acid

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D3549

> <NAME>
Nitrous acid

> <CAS>
7782-77-6

> <SYNONYMS>
Dioxonitric acid; HNO2; hydrogen dioxonitrate(1-); Hydroxidooxidonitrogen; Hyponitrite; Hyponitrous acid; Kyselina dusite; Nitrosyl hydroxide; Nitrous acid trans; [NO(OH)]

> <TYPES>
Inorganic Compound; Non-Metal; Nitrite; Industrial/Workplace Toxin; Synthetic Compound

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