Mrv0541 02231217412D          

  4  3  0  0  0  0            999 V2000
    1.2375    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
M  END
> <DATABASE_ID>
DB04456

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/AsH3O3/c2-1(3)4/h2-4H

> <INCHI_KEY>
GCPXMJHSNVMWNM-UHFFFAOYSA-N

> <FORMULA>
AsH3O3

> <MOLECULAR_WEIGHT>
125.9436

> <EXACT_MASS>
125.929815379

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
7

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-0.589425562673934

> <JCHEM_AVERAGE_POLARIZABILITY>
6.273162086211265

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
arsorous acid

> <JCHEM_LOGP>
-0.8585999999999996

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-1

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
11.321913913024023

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.843133950154169

> <JCHEM_PKA_STRONGEST_BASIC>
-6.157920373388186

> <JCHEM_POLAR_SURFACE_AREA>
60.69

> <JCHEM_REFRACTIVITY>
7.6937999999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB04456

> <SECONDARY_ACCESSION_NUMBERS>
EXPT03008

> <DRUG_GROUPS>
experimental; investigational

> <GENERIC_NAME>
Arsenous acid

> <SYNONYMS>
arsenic trihydroxide; arsenous acid; arsorous acid; trihydroxyarsenite(III)

$$$$