Mrv0541 02241204552D          

  8  4  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1196    0.0000    0.0000 Cu  0  2  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 Cu  0  2  0  0  0  0  0  0  0  0  0  0
    2.8286   -3.3000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8286   -2.4750    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    2.8286   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6536   -2.4750    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0036   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
M  CHG  6   1  -1   2   2   3   2   4  -1   6  -1   7  -1
M  END
> <DATABASE_ID>
T3D0289

> <DATABASE_NAME>
t3db

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

> <INCHI_IDENTIFIER>
InChI=1S/AsH3O4.2Cu.H2O/c2-1(3,4)5;;;/h(H3,2,3,4,5);;;1H2/q;2*+2;/p-4

> <INCHI_KEY>
JLVKAXLQCSAERS-UHFFFAOYSA-J

> <FORMULA>
AsCu2HO5

> <MOLECULAR_WEIGHT>
283.019

> <EXACT_MASS>
281.763196717

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
6.298190073731611

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dicopper(2+) ion hydroxide arsorate

> <JCHEM_LOGP>
-1.2099999999999995

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.32499391224467

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.153176570985763

> <JCHEM_POLAR_SURFACE_AREA>
86.25

> <JCHEM_REFRACTIVITY>
5.7716

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
dicopper(2+) ion hydroxide arsenate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D0289

> <NAME>
Copper arsenate hydroxide

> <CAS>
16102-92-4

> <SYNONYMS>
Copper arsenic acid hydroxide; Olivenite

> <TYPES>
Inorganic Compound; Arsenic Compound; Pesticide; Copper Compound; Pollutant; Natural Compound

$$$$