Mrv1572004031616592D          

  4  0  0  0  0  0            999 V2000
   18.1330  -17.0817    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
   17.5541  -18.1990    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
   18.6436  -18.2070    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
   17.9800  -17.7117    0.0000 Cr  0  1  0  0  0  0  0  0  0  0  0  0
M  CHG  4   1  -1   2  -1   3  -1   4   3
M  END
> <DATABASE_ID>
T3D1439

> <DATABASE_NAME>
t3db

> <SMILES>
[Cl-].[Cl-].[Cl-].[Cr+3]

> <INCHI_IDENTIFIER>
InChI=1S/3ClH.Cr/h3*1H;/q;;;+3/p-3

> <INCHI_KEY>
QSWDMMVNRMROPK-UHFFFAOYSA-K

> <FORMULA>
Cl3Cr

> <MOLECULAR_WEIGHT>
158.35

> <EXACT_MASS>
156.847064

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
2.3881688999999993

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
chromium(3+) ion trichloride

> <ALOGPS_LOGP>
2.09

> <JCHEM_LOGP>
0.6123387216666667

> <ALOGPS_LOGS>
-1.43

> <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>
5.83e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
chromium(3+) ion trichloride

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1439

> <NAME>
Chromium(III) chloride

> <CAS>
10025-73-7

> <SYNONYMS>
Chromic chloride; Chromic chloride hexahydrate; Chromium chloride; Chromium trichloride; CrCl3; Puratronic chromium chloride; Trichlorochromium

> <TYPES>
Inorganic Compound; Chromium Compound; Pollutant; Industrial/Workplace Toxin; Synthetic Compound

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