Mrv0541 02241205142D          

  4  2  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    2.1214    0.1375    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8359   -0.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5504    0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
> <DATABASE_ID>
T3D3550

> <DATABASE_NAME>
t3db

> <SMILES>
[K+].[O-]N=O

> <INCHI_IDENTIFIER>
InChI=1S/K.HNO2/c;2-1-3/h;(H,2,3)/q+1;/p-1

> <INCHI_KEY>
BXNHTSHTPBPRFX-UHFFFAOYSA-M

> <FORMULA>
KNO2

> <MOLECULAR_WEIGHT>
85.1038

> <EXACT_MASS>
84.95661011

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
2.4448587770475987

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
potassium nitrite

> <JCHEM_LOGP>
0.166137638

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.320000070774052

> <JCHEM_PKA_STRONGEST_BASIC>
-3.4679102843579623

> <JCHEM_POLAR_SURFACE_AREA>
52.49

> <JCHEM_REFRACTIVITY>
7.6

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
potassium nitrite

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D3550

> <NAME>
Potassium nitrite

> <CAS>
7758-09-0

> <SYNONYMS>
Nitrous acid potassium salt; Nitrous acid potassium salt (1:1); Potassium nitrite (1:1)

> <TYPES>
Inorganic Compound; Nitrite; Food Toxin; Preservative; Household Toxin; Industrial/Workplace Toxin; Synthetic Compound

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