Mrv0541 02241205152D          

  5  3  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
    3.2411    0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8286    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.2411   -0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0036    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
M  CHG  4   1   1   2  -1   3   1   4  -1
M  END
> <DATABASE_ID>
T3D3572

> <DATABASE_NAME>
t3db

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

> <INCHI_IDENTIFIER>
InChI=1S/K.NO3/c;2-1(3)4/q+1;-1

> <INCHI_KEY>
FGIUAXJPYTZDNR-UHFFFAOYSA-N

> <FORMULA>
KNO3

> <MOLECULAR_WEIGHT>
101.1032

> <EXACT_MASS>
100.951524732

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
3.239762129889275

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
potassium nitrate

> <JCHEM_LOGP>
0.02841376366666668

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
-1.399990368988571

> <JCHEM_PKA_STRONGEST_BASIC>
-6.054117228555776

> <JCHEM_POLAR_SURFACE_AREA>
68.88

> <JCHEM_REFRACTIVITY>
9.8534

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
potassium nitrate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D3572

> <NAME>
Potassium nitrate

> <CAS>
7757-79-1

> <SYNONYMS>
Collo-bo; Kali nitricum; KalII nitras; Kalium nitricum; Kaliumnitrat; Niter; Nitrate of potash; Nitre; Nitric acid potassium salt; Nitric acid potassium salt (1:1); Nitric acid, potassium salt; Potassium nitrate(dot); Potassium nitric acid; Salpetre; Salt peter; Saltpeter; Saltpetre; Sensodyne; Vicknite

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

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