Mrv0541 02241205142D          

  6  4  0  0  0  0            999 V2000
    0.4125    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6536    0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.2411    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6536   -0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4161    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
M  CHG  4   1   1   3  -1   4   1   5  -1
M  END
> <DATABASE_ID>
T3D3562

> <DATABASE_NAME>
t3db

> <SMILES>
[NH3+]O.[O-][N+]([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/NO3.H4NO/c2-1(3)4;1-2/h;2H,1H3/q-1;+1

> <INCHI_KEY>
CRJZNQFRBUFHTE-UHFFFAOYSA-N

> <FORMULA>
H4N2O4

> <MOLECULAR_WEIGHT>
96.0428

> <EXACT_MASS>
96.017106626

> <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>
hydroxyazanium 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>
hydroxyazanium nitrate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D3562

> <NAME>
Hydroxylammonium nitrate

> <CAS>
13465-08-2

> <SYNONYMS>
Hydroxylamine nitrate; Hydroxylamine nitrate (1:1); Hydroxylamine nitrate (salt); Hydroxylammonium nitric acid

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

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