Mrv1909 11141918472D          

  5  4  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
M  END
> <DATABASE_ID>
DBMET02872

> <DATABASE_NAME>
drugbank

> <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_ATOM_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
7.068790252547668

> <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

> <DRUGBANK_ID>
DBMET02872

> <NAME>
Arsenic acid

> <UNII>
N7CIZ75ZPN

$$$$