Mrv1572004221606122D          

 21 20  0  0  0  0            999 V2000
    0.4547   -1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1691   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2598   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1691   -0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2598   -0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4547    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9743    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4547    1.0125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9743    1.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6887   -0.2250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.0804   -1.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7949   -0.8663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3659   -0.8663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7949   -0.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3659   -0.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0804    0.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6515    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0804    1.1962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9370   -0.0412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6515    1.1963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4547    1.8375    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  2  0  0  0  0
 10  7  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  2  0  0  0  0
 16 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  2  0  0  0  0
 20 17  1  0  0  0  0
M  CHG  3   8  -1  10  -1  21   2
M  END
> <DATABASE_ID>
CHEM019864

> <DATABASE_NAME>
chemdb

> <SMILES>
[Zn++].OC(=O)C1=CC=CC=C1O.[O-]C(=O)C1=CC=CC=C1[O-]

> <INCHI_IDENTIFIER>
InChI=1S/2C7H6O3.Zn/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2

> <INCHI_KEY>
PZXFWBWBWODQCS-UHFFFAOYSA-L

> <FORMULA>
C14H10O6Zn

> <MOLECULAR_WEIGHT>
339.61

> <EXACT_MASS>
337.97688

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
31

> <JCHEM_AVERAGE_POLARIZABILITY>
12.023337267302304

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
zinc(2+) ion 2-hydroxybenzoic acid 2-oxidobenzoate

> <ALOGPS_LOGP>
1.71

> <JCHEM_LOGP>
1.977263402333333

> <ALOGPS_LOGS>
-1.56

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
13.228682517040586

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.7897391795725692

> <JCHEM_PKA_STRONGEST_BASIC>
-6.285929432184692

> <JCHEM_POLAR_SURFACE_AREA>
63.19

> <JCHEM_REFRACTIVITY>
56.682500000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.00e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
zinc(2+) ion salicylic 2-oxidobenzoate

> <JCHEM_VEBER_RULE>
0

> <NAME>
Zinc salicylate

> <CAS>
16283-36-6

$$$$