Mrv0541 09051417042D          

  3  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    1.0018    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
M  CHG  3   1  -1   2  -1   3   2
M  END
> <DATABASE_ID>
T3D0726

> <DATABASE_NAME>
t3db

> <SMILES>
[Cl-].[Cl-].[Zn++]

> <INCHI_IDENTIFIER>
InChI=1S/2ClH.Zn/h2*1H;/q;;+2/p-2

> <INCHI_KEY>
JIAARYAFYJHUJI-UHFFFAOYSA-L

> <FORMULA>
Cl2Zn

> <MOLECULAR_WEIGHT>
136.315

> <EXACT_MASS>
133.866851992

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
2.3881688999999993

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
zinc(2+) ion dichloride

> <ALOGPS_LOGP>
0.91

> <JCHEM_LOGP>
0.6123387216666667

> <ALOGPS_LOGS>
-0.47

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
-7.000000000000001

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
5.6156

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.61e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
zinc(2+) ion dichloride

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D0726

> <NAME>
Zinc chloride

> <CAS>
7646-85-7

> <SYNONYMS>
Butter of zinc; Dichlorozinc; Hexite; Hydrochloric acid zinc salt (2:1); Tinning flux; Zinc butter; Zinc dichloride; Zinc muriate; Zinc(II) chloride; Zinco; Zinco (cloruro di); Zinctrace; Zine dichloride; Zinkchloride; Zintrace; ZnCl2

> <TYPES>
Inorganic Compound; Zinc Compound; Food Toxin; Metabolite; Cosmetic Toxin; Household Toxin; Industrial/Workplace Toxin; Synthetic Compound

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