Mrv0541 02241204342D          

  6  4  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
    2.8286   -0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8286    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8286    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6536    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0036    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  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  2  0  0  0  0
M  CHG  3   1   2   2  -1   4  -1
M  END
> <DATABASE_ID>
T3D1215

> <DATABASE_NAME>
t3db

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

> <INCHI_IDENTIFIER>
InChI=1S/Cu.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2

> <INCHI_KEY>
ARUVKPQLZAKDPS-UHFFFAOYSA-L

> <FORMULA>
CuO4S

> <MOLECULAR_WEIGHT>
159.609

> <EXACT_MASS>
158.881330257

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
5.805291890677037

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
copper(2+) ion sulfate

> <JCHEM_LOGP>
-0.8415520233333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
1.8964254257138706

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.034349054191991

> <JCHEM_POLAR_SURFACE_AREA>
80.25999999999999

> <JCHEM_REFRACTIVITY>
11.5274

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
copper(2+) ion sulfate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1215

> <NAME>
Copper(II) sulfate

> <CAS>
7758-98-7

> <SYNONYMS>
Basic copper sulfate; Blue copper; Blue copperas; Bonide root destroyer; Copper monosulfate; Copper sulfate; Copper sulfate pentahydrate; Copper sulfate, anhydrous; Copper sulphate; Copper(2+) sulphate; Copper(II) sulfic acid; Copper(II) sulphate; Copper(II) sulphic acid; Cupric sulfate; Cupric sulfate anhydrous; CuSO4; Monocopper sulfate; Sulfate, copper; Sulfate, cupric; Sulfuric acid, copper salt; Sulfuric acid, copper(2+) salt; Tobacco states brand copper sulfate; Trinagle; Vitriol, blue

> <TYPES>
Inorganic Compound; Pesticide; Copper Compound; Food Toxin; Household Toxin; Industrial/Workplace Toxin; Natural Compound

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