Mrv0541 02241205142D          

  5  3  0  0  0  0            999 V2000
    0.0000    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
    2.8286    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>
T3D3552

> <DATABASE_NAME>
t3db

> <SMILES>
[NH4+].[O-][N+]([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/NO3.H3N/c2-1(3)4;/h;1H3/q-1;/p+1

> <INCHI_KEY>
DVARTQFDIMZBAA-UHFFFAOYSA-O

> <FORMULA>
H4N2O3

> <MOLECULAR_WEIGHT>
80.0434

> <EXACT_MASS>
80.022192004

> <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>
ammonium 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>
ammonium nitrate

> <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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