Mrv0541 11251413252D          

  7  4  0  0  0  0            999 V2000
   -0.0883    1.6500    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.9133    1.6500    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   -0.0883   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0883   -0.8250    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0883    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7366   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9133   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
M  CHG  2   1   1   2   1
M  END
> <DATABASE_ID>
CHEM000257

> <DATABASE_NAME>
chemdb

> <SMILES>
[Na+].[Na+].C[As](O)(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/CH5AsO3.2Na/c1-2(3,4)5;;/h1H3,(H2,3,4,5);;/q;2*+1

> <INCHI_KEY>
SDIXRDNYIMOKSG-UHFFFAOYSA-N

> <FORMULA>
CH5AsNa2O3

> <MOLECULAR_WEIGHT>
185.9486

> <EXACT_MASS>
185.923907633

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
8.140512123452602

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
2

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
disodium methylarsonic acid

> <ALOGPS_LOGP>
-1.05

> <JCHEM_LOGP>
-0.9120999999999997

> <ALOGPS_LOGS>
0.61

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.5814908650188

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.196018882390285

> <JCHEM_POLAR_SURFACE_AREA>
57.53

> <JCHEM_REFRACTIVITY>
11.897400000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.69e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
disodium monomethylarsonic acid

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D0308

> <NAME>
Methylarsonic acid, disodium salt

> <CAS>
19444-53-2

> <SYNONYMS>
Ansar 184; Ansar DMSA liquid; Arrhenal; Arsinyl; Arsynal; Cacodyl new; Chipco crab kleen; Clout; Crab-3-rad 100; Crab-e-rad; Cralo-e-rad; Dal-e-rad 100; Di-tac; Diarsen; Dimet; Disodium methanearsenate; Disodium methanearsonate; Disodium methylarsenate; Disodium methylarsonate; Disodium monomethylarsonate; Disomar; Disomear; DSMA; Jon-trol; MAA; MAA sodium salt; MeAsO(OH)2; Methanearsonic acid; Methar; Metharsan; Metharsinat; Methylarsenic acid; Methylarsinic acid; Methylarsonate; Methylarsonate, disodium salt; Methylarsonic acid; Monomethylarsinic acid; Monomethylarsonate; Monomethylarsonic acid; Namate; Neo-asycodile; Sodar; Sodium methanearsonate; Sodium metharsonate; Sodium methylarsonate; Somar; Stenosine; Tonarsan; Tonarsin; Weed broom; Weed-e-rad; Weed-hoe

> <TYPES>
Arsenic Compound; Organic Compound; Pesticide; Organometallic; Synthetic Compound

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