Mrv1572004191604412D          

 10  0  0  0  0  0            999 V2000
    0.4125    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    2.7696    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    3.8893    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.0000    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7143   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7143   -3.3000    0.0000 O   0  0  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>
CHEM015800

> <DATABASE_NAME>
chemdb

> <SMILES>
O.O.O.O.O.O.[Cl-].[Cl-].[Cl-].[Fe+3]

> <INCHI_IDENTIFIER>
InChI=1S/3ClH.Fe.6H2O/h3*1H;;6*1H2/q;;;+3;;;;;;/p-3

> <INCHI_KEY>
NQXWGWZJXJUMQB-UHFFFAOYSA-K

> <FORMULA>
Cl3FeH12O6

> <MOLECULAR_WEIGHT>
270.29

> <EXACT_MASS>
268.904882

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
22

> <JCHEM_AVERAGE_POLARIZABILITY>
2.3881688999999993

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
iron(3+) ion hexahydrate trichloride

> <ALOGPS_LOGP>
2.06

> <JCHEM_LOGP>
0.6123387216666667

> <ALOGPS_LOGS>
-1.35

> <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>
7.29e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
iron(3+) ion hexahydrate trichloride

> <JCHEM_VEBER_RULE>
1

> <NAME>
Iron chloride, hexahydrate

> <CAS>
10025-77-1

$$$$