Mrv1572004191602552D          

 11  8  0  0  0  0            999 V2000
    1.3063   -0.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4813   -0.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0688    0.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4813    0.8335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7562    0.1191    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.3705    1.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7830    0.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3705   -0.2858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7830   -1.0003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5455   -0.2858    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.5812    0.1191    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
M  CHG  3   5  -1  10  -1  11   2
M  END
> <DATABASE_ID>
DBSALT002398

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/2C3H4O2.Zn/c2*1-2-3(4)5;/h2*2H,1H2,(H,4,5);/q;;+2/p-2

> <INCHI_KEY>
XKMZOFXGLBYJLS-UHFFFAOYSA-L

> <FORMULA>
C6H6O4Zn

> <MOLECULAR_WEIGHT>
207.49

> <EXACT_MASS>
205.955751

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
17

> <JCHEM_AVERAGE_POLARIZABILITY>
6.046318999375413

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
zinc(2+) ion bis(prop-2-enoate)

> <ALOGPS_LOGP>
1.07

> <JCHEM_LOGP>
0.5329472926666666

> <ALOGPS_LOGS>
-1.61

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.715808200933474

> <JCHEM_POLAR_SURFACE_AREA>
40.129999999999995

> <JCHEM_REFRACTIVITY>
28.1285

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.12e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
zinc(2+) ion diacrylate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT002398

> <NAME>
Zinc diacrylate

> <DRUG_DRUGBANK_ID>
DB02579

> <DRUG_NAME>
Acrylic Acid

> <CAS_NUMBER>
14643-87-9

> <UNII>
4720M0PK19

$$$$