Mrv1718006231812442D          

 17 16  0  0  0  0            999 V2000
    2.1620    0.4047    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.4300   -0.7877    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4445   -0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4203    0.0315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1766    1.2386    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7077   -1.2095    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7174    0.4338    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    0.7223    0.4193    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    2.8601   -0.0169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1572   -1.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1842   -0.2884    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
   -2.1426    0.4532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4349   -0.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8601   -0.7732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8601   -0.8459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8601    0.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1475   -1.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  1  1  0  0  0  0
 10  2  1  0  0  0  0
 12  4  1  0  0  0  0
 13  3  1  0  0  0  0
 14 10  2  0  0  0  0
 15  9  2  0  0  0  0
 16 14  1  0  0  0  0
 17 13  2  0  0  0  0
 15 17  1  0  0  0  0
 12 16  2  0  0  0  0
M  CHG  7   1   1   2   1   5  -1   6  -1   7  -1   8  -1  11   2
M  END
> <DATABASE_ID>
DBSALT002737

> <DATABASE_NAME>
drugbank

> <SMILES>
[Zn++].[O-][N+]1=C([S-])C=CC=C1.[O-][N+]1=C([S-])C=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/2C5H5NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h2*1-4,8H;/q;;+2/p-2

> <INCHI_KEY>
OTPSWLRZXRHDNX-UHFFFAOYSA-L

> <FORMULA>
C10H8N2O2S2Zn

> <MOLECULAR_WEIGHT>
317.722

> <EXACT_MASS>
315.931865468

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
25

> <JCHEM_AVERAGE_POLARIZABILITY>
11.910476222520842

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
zinc(2+) bis((1-oxidopyridin-1-ium-2-yl)sulfanide)

> <ALOGPS_LOGP>
0.60

> <JCHEM_LOGP>
0.19550161366666666

> <ALOGPS_LOGS>
-3.67

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.842894405426888

> <JCHEM_PKA_STRONGEST_BASIC>
0.6608085663731048

> <JCHEM_POLAR_SURFACE_AREA>
26.939999999999998

> <JCHEM_REFRACTIVITY>
31.6388

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.80e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
zinc pyrithione

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBSALT002737

> <NAME>
Pyrithione zinc

> <DRUG_DRUGBANK_ID>
DB06815

> <DRUG_NAME>
Pyrithione

> <CAS_NUMBER>
13463-41-7

> <UNII>
R953O2RHZ5

$$$$