Mrv0541 02241205492D          

 11  4  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2393    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4786    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2393   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5964   -1.6500    0.0000 Cu  0  2  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8250   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  2  0  0  0  0
M  CHG  3   6   2   7  -1   9  -1
M  END
> <DATABASE_ID>
DBSALT002501

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/Cu.H2O4S.5H2O/c;1-5(2,3)4;;;;;/h;(H2,1,2,3,4);5*1H2/q+2;;;;;;/p-2

> <INCHI_KEY>
JZCCFEFSEZPSOG-UHFFFAOYSA-L

> <FORMULA>
CuH10O9S

> <MOLECULAR_WEIGHT>
249.685

> <EXACT_MASS>
248.934153687

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
21

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-1.9999960608374163

> <JCHEM_AVERAGE_POLARIZABILITY>
5.805278247285031

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
copper(2+) pentahydrate sulfate

> <ALOGPS_LOGP>
-0.12

> <JCHEM_LOGP>
-0.8415520233333333

> <ALOGPS_LOGS>
-0.67

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-2

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
1.8964254257138706

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.0343490541919906

> <JCHEM_POLAR_SURFACE_AREA>
80.25999999999999

> <JCHEM_REFRACTIVITY>
11.5274

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.57e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT002501

> <NAME>
Cupric sulfate pentahydrate

> <DRUG_DRUGBANK_ID>
DB06778

> <DRUG_NAME>
Cupric sulfate

> <CAS_NUMBER>
7758-99-8

> <UNII>
LRX7AJ16DT

$$$$