Mrv0541 02241203492D          

  5  4  0  0  0  0            999 V2000
   14.1468  -14.1045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9718  -14.1045    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
   14.9718  -14.9295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9718  -13.2795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7968  -14.1045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM000195

> <DATABASE_NAME>
chemdb

> <SMILES>
O[As](O)(O)=O

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

> <INCHI_KEY>
DJHGAFSJWGLOIV-UHFFFAOYSA-N

> <FORMULA>
AsH3O4

> <MOLECULAR_WEIGHT>
141.943

> <EXACT_MASS>
141.924730001

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
7.068790252547669

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
arsoric acid

> <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>
77.76

> <JCHEM_REFRACTIVITY>
9.1367

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
arsenic acid

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D0223

> <NAME>
Arsenate

> <CAS>
15584-04-00

> <SYNONYMS>
Arsenate ion; Arsenate(3-); Arsenic acid; Arsorate; ART; Tetraoxidoarsenate(3-); Tetraoxoarsenate(3-); Tetraoxoarsenate(V)

> <TYPES>
Inorganic Compound; Arsenic Compound; Pesticide; Pollutant; Food Toxin; Metabolite; Industrial/Workplace Toxin; Natural Compound

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