Mrv0541 02241205172D          

  6  4  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
    2.8286   -0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8286    0.0000    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    2.8286    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6536    0.0000    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  1  0  0  0  0
  3  6  2  0  0  0  0
M  CHG  4   1   3   2  -1   4  -1   5  -1
M  END
> <DATABASE_ID>
T3D1319

> <DATABASE_NAME>
t3db

> <SMILES>
[Fe+3].[O-][As]([O-])([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/AsH3O4.Fe/c2-1(3,4)5;/h(H3,2,3,4,5);/q;+3/p-3

> <INCHI_KEY>
BMWMWYBEJWFCJI-UHFFFAOYSA-K

> <FORMULA>
AsFeO4

> <MOLECULAR_WEIGHT>
194.764

> <EXACT_MASS>
194.836197038

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
6.298190073731611

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
iron(3+) ion 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>
86.25

> <JCHEM_REFRACTIVITY>
5.7716

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
iron(3+) ion arsenate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1319

> <NAME>
Ferric arsenate

> <CAS>
10102-49-5

> <SYNONYMS>
Arsenate of iron, ferric; Ferric arsenic acid; Iron arsenate; Iron(III) arsenate (1:1)

> <TYPES>
Inorganic Compound; Arsenic Compound; Pollutant; Industrial/Workplace Toxin; Synthetic Compound

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