Mrv1572004161622402D          

  5  3  0  0  0  0            999 V2000
    0.0000   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.7145    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7696    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  2  0  0  0  0
M  CHG  2   2  -1   3   1
M  END
> <DATABASE_ID>
CHEM002542

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/HNO3.H3N/c2-1(3)4;/h(H,2,3,4);1H3

> <INCHI_KEY>
PRORZGWHZXZQMV-UHFFFAOYSA-N

> <FORMULA>
H4N2O3

> <MOLECULAR_WEIGHT>
80.043

> <EXACT_MASS>
80.022191997

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
3.5332812666591664

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
nitric acid amine

> <JCHEM_LOGP>
0.02841376366666668

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
-1.3999999999999995

> <JCHEM_PKA_STRONGEST_BASIC>
-9.972159999999999

> <JCHEM_POLAR_SURFACE_AREA>
85.94999999999999

> <JCHEM_REFRACTIVITY>
10.473

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
nitric acid amine

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D3552

> <NAME>
Ammonium nitrate

> <CAS>
6484-52-2

> <SYNONYMS>
Ammonium hydrogendinitrate; Ammonium nitrate (pesticide/fertilizer mixture); Ammonium nitrate solution; Ammonium nitrate urea solution (containing ammonia); Ammonium nitrate urea solution (not containing ammonia); Ammonium nitric acid; Ammonium nitricum; Ammonium saltpeter; Ammonium(I) nitrate (1:1); Herco prills; Merco prills; Nitram; Nitrate d'ammonium; Nitrate of ammonia; Nitrato amonico; Nitric acid ammonium salt; Nitric acid ammonium salt (1:1); Nitric acid, ammonium salt; Norway saltpeter; Varioform I

> <TYPES>
Inorganic Compound; Non-Metal; Fertilizer; Nitrate; Household Toxin; Industrial/Workplace Toxin; Synthetic Compound

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