Mrv0541 02241219152D          

  9  6  0  0  0  0            999 V2000
   -0.9487    0.5773    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4540    1.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3710    1.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7835    1.8977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2888   -0.5773    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.4532   -0.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9487    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9487   -1.1549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0407   -1.8977    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
M  CHG  3   1  -1   5  -1   9   2
M  END
> <DATABASE_ID>
FDB015392

> <DATABASE_NAME>
foodb

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

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

> <INCHI_KEY>
DJWUNCQRNNEAKC-UHFFFAOYSA-L

> <FORMULA>
C4H6O4Zn

> <MOLECULAR_WEIGHT>
183.497

> <EXACT_MASS>
181.955755258

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
4.955940651539537

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
zinc(2+) ion diacetate

> <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+) ion diacetate

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB015392

> <GENERIC_NAME>
Zinc acetate

$$$$