Mrv0541 02241204202D          

  5  3  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Cu  0  2  0  0  0  0  0  0  0  0  0  0
    3.3589    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9464    0.0000    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    3.3589   -0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1214    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
M  CHG  3   1   2   4  -1   5  -1
M  END
> <DATABASE_ID>
T3D0286

> <DATABASE_NAME>
t3db

> <SMILES>
[Cu++].O[As]([O-])[O-]

> <INCHI_IDENTIFIER>
InChI=1S/AsHO3.Cu/c2-1(3)4;/h2H;/q-2;+2

> <INCHI_KEY>
BPQWCZKMOKHAJF-UHFFFAOYSA-N

> <FORMULA>
AsCuHO3

> <MOLECULAR_WEIGHT>
187.474

> <EXACT_MASS>
186.843766394

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
5.729696427797812

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
copper(2+) ion hydrogen arsorite

> <JCHEM_LOGP>
-0.8585999999999996

> <JCHEM_MDDR_LIKE_RULE>
0

> <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>
66.35

> <JCHEM_REFRACTIVITY>
5.4504

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
copper(2+) ion arsenite(2-)

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D0286

> <NAME>
Copper(II) arsenite

> <CAS>
10290-12-7

> <SYNONYMS>
Acid copper arsenite; Air-flo green; Copper arsenate; Copper arsenite; Copper arsonate; Copper orthoarsenite; Cupric arsenite; Cupric green; Scheele's mineral; Scheeles green; Swedish green

> <TYPES>
Inorganic Compound; Metalloid; Arsenic Compound; Pesticide; Copper Compound; Pollutant; Industrial/Workplace Toxin; Synthetic Compound

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