Mrv2304 09272320192D          

  4  2  0  0  0  0            999 V2000
    2.4750   -0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 O   0  5  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
    0.0000    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  2  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
> <DATABASE_ID>
DB18508

> <DATABASE_NAME>
drugbank

> <SMILES>
[Na+].[O-][As]=O

> <INCHI_IDENTIFIER>
InChI=1S/AsHO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1

> <INCHI_KEY>
PTLRDCMBXHILCL-UHFFFAOYSA-M

> <FORMULA>
AsNaO2

> <MOLECULAR_WEIGHT>
129.909

> <EXACT_MASS>
129.901194

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
4

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-0.00825182573460573

> <JCHEM_AVERAGE_POLARIZABILITY>
3.950532373196229

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sodium oxoarsinite

> <JCHEM_LOGP>
-0.13759999999999994

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.079851361851705

> <JCHEM_POLAR_SURFACE_AREA>
40.129999999999995

> <JCHEM_REFRACTIVITY>
2.8858

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
sodium arsenite

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB18508

> <DRUG_GROUPS>
investigational

> <GENERIC_NAME>
Sodium arsenite

> <SYNONYMS>
Arsenenous acid, sodium salt (1:1); Arsenious acid, monosodium salt; Arsenious acid, sodium salt; Sodium (meta)arsenite; Sodium arsenenite; Sodium dioxoarsenate; Sodium meta arsenite; Sodium meta-arsenite; Sodium metaarsenite

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