Mrv1652306061823322D          

  5  4  0  0  0  0            999 V2000
    0.8250   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  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  1  0  0  0  0
  2  5  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1275

> <DATABASE_NAME>
t3db

> <SMILES>
Cl[Sn](Cl)(Cl)Cl

> <INCHI_IDENTIFIER>
InChI=1S/4ClH.Sn/h4*1H;/q;;;;+4/p-4

> <INCHI_KEY>
HPGGPRDJHPYFRM-UHFFFAOYSA-J

> <FORMULA>
Cl4Sn

> <MOLECULAR_WEIGHT>
260.52

> <EXACT_MASS>
259.777607399

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
2.3881688999999993

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tin(4+) ion tetrachloride

> <ALOGPS_LOGP>
2.62

> <JCHEM_LOGP>
0.6123387216666667

> <ALOGPS_LOGS>
-1.55

> <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>
7.37e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tin(4+) ion tetrachloride

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1275

> <NAME>
Tin chloride

> <CAS>
7646-78-8

> <SYNONYMS>
Anhydrous tin tetrachloride; Fascat 4400; Libavius fuming spirit; Libavius' fuming spirit; SnCl4; Stagno; Stagno (tetracloruro di); Stannic chloride; Stannic chloride fuming; Stannic chloride, anhydrous; Stannic tetrachloride; Tetrachloro-Stannane; Tetrachlorostannane; Tetrachlorostannane, 9CI; Tetrachlorotin; Tin (IV) chloride anhydrous; Tin chloride (1:4); Tin chloride (SnCl4) (8CI); Tin chloride, fuming; Tin chloride, fuming (dot); Tin perchloride; Tin perchloride(dot); Tin tetrachloride; Tin tetrachloride, anhydrous; Tin(IV) chloride; Tin(IV) tetrachloride; Tintetrachloride; Zinntetrachlorid

> <TYPES>
Inorganic Compound; Tin Compound; Food Toxin; Metabolite; Synthetic Compound

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