Mrv1718007091811212D          

 11  6  0  0  0  0            999 V2000
   -2.0834    0.9181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7028    0.9181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6763    1.6305    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.2862    1.6305    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.9119    0.9181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5219    0.9181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9834    0.8115    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
    0.2862    0.2008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6763    0.2008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0263   -1.6305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9119   -1.2768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  2  2  0  0  0  0
  8  2  1  0  0  0  0
  9  1  1  0  0  0  0
M  CHG  3   3  -1   4  -1   7   2
M  END
> <DATABASE_ID>
DBSALT002771

> <DATABASE_NAME>
drugbank

> <SMILES>
O.O.[Zn++].CC([O-])=O.CC([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/2C2H4O2.2H2O.Zn/c2*1-2(3)4;;;/h2*1H3,(H,3,4);2*1H2;/q;;;;+2/p-2

> <INCHI_KEY>
BEAZKUGSCHFXIQ-UHFFFAOYSA-L

> <FORMULA>
C4H10O6Zn

> <MOLECULAR_WEIGHT>
219.528

> <EXACT_MASS>
217.97688463

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
21

> <JCHEM_AVERAGE_POLARIZABILITY>
4.956734056404358

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
zinc(2+) diacetate dihydrate

> <ALOGPS_LOGP>
0.20

> <JCHEM_LOGP>
-0.2233457143333334

> <ALOGPS_LOGS>
-0.57

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.543439679000835

> <JCHEM_POLAR_SURFACE_AREA>
40.129999999999995

> <JCHEM_REFRACTIVITY>
23.480800000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.99e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
zinc(2+) diacetate dihydrate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT002771

> <NAME>
Zinc acetate dihydrate

> <DRUG_DRUGBANK_ID>
DB14487

> <DRUG_NAME>
Zinc acetate

> <CAS_NUMBER>
5970-45-6

> <UNII>
FM5526K07A

$$$$