Mrv0541 02241204562D          

  6  5  0  0  0  0            999 V2000
    1.6500   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.1270    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
    0.0000    0.0000    0.0000 Na  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  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM000266

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C2H7AsO2.Na/c1-3(2,4)5;/h1-2H3,(H,4,5);/q;+1/p-1

> <INCHI_KEY>
IHQKEDIOMGYHEB-UHFFFAOYSA-M

> <FORMULA>
C2H6AsNaO2

> <MOLECULAR_WEIGHT>
159.9792

> <EXACT_MASS>
159.948145528

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
10.703985606683398

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sodium dimethylarsinate

> <ALOGPS_LOGP>
0.02

> <JCHEM_LOGP>
0.6781999999999999

> <ALOGPS_LOGS>
-0.29

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.010830990327351

> <JCHEM_POLAR_SURFACE_AREA>
26.3

> <JCHEM_REFRACTIVITY>
14.6845

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.15e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cacodylic acid sodium salt

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D0317

> <NAME>
Sodium dimethylarsinate

> <CAS>
124-65-2

> <SYNONYMS>
((Dimethylarsino)oxy)sodium as-oxide; ((Dimethylarsino)oxy)sodium-as-oxide; Alkarsodyl; Ansar 160; Ansar 560; Arsecodile; Arsicodile; Arsycodile; Cacodylic acid sodium salt; Dimethylarsinic acid sodium salt; Hydroxydimethylarsine oxide sodium salt; Hydroxydimethylarsine oxide, sodium salt; Phytar 560; Rad-e-cate 25; Sodium cacodylate; Sodium dimethyl arsinate; Sodium dimethyl arsonide; Sodium dimethylarsinic acid; Sodium salt OF cacodylic acid

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

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