Mrv0541 02241204202D          

  7  4  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
    1.1196    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8250   -2.4750    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8250   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
M  CHG  4   1   1   2   1   5  -1   6  -1
M  END
> <DATABASE_ID>
T3D0285

> <DATABASE_NAME>
t3db

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

> <INCHI_IDENTIFIER>
InChI=1S/AsH3O4.2H3N/c2-1(3,4)5;;/h(H3,2,3,4,5);2*1H3

> <INCHI_KEY>
XPVHUBFHKQQSDA-UHFFFAOYSA-N

> <FORMULA>
AsH9N2O4

> <MOLECULAR_WEIGHT>
176.0041

> <EXACT_MASS>
175.977828203

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
6.5559026521661234

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
diammonium hydrogen arsorate

> <JCHEM_LOGP>
-1.2099999999999995

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.32499391224467

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.153176570985763

> <JCHEM_POLAR_SURFACE_AREA>
83.41999999999999

> <JCHEM_REFRACTIVITY>
6.8933

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
diammonium hydrogen arsenate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D0285

> <NAME>
Ammonium arsenate

> <CAS>
7784-44-3

> <SYNONYMS>
(NH4)3AsO4; Ammonium acid arsenate; Ammonium arsenic acid; Ammonium orthoarsenate; Diammonium arsenate; Diammonium hydrogen arsenate; Diammonium hydrogenarsenate; Diammonium monohydrogen arsenate; Dibasic ammonium arsenate; Secondary ammonium arsenate

> <TYPES>
Inorganic Compound; Arsenic Compound; Pesticide; Pollutant; Synthetic Compound

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