Mrv1909 12121919022D          

  4  3  0  0  0  0            999 V2000
   -0.0326    0.1924    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    0.3799    0.9069    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3799   -0.5221    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8577    0.1924    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
M  END
> <DATABASE_ID>
DB15536

> <DATABASE_NAME>
drugbank

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

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

> <INCHI_KEY>
RBTARNINKXHZNM-UHFFFAOYSA-K

> <FORMULA>
Cl3Fe

> <MOLECULAR_WEIGHT>
162.204

> <EXACT_MASS>
160.841500254

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
10.163611444741344

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
trichloroiron

> <ALOGPS_LOGP>
2.06

> <JCHEM_LOGP>
2.3034999999999997

> <ALOGPS_LOGS>
-1.35

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
18.408900000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.29e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ferric chloride

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB15536

> <DRUG_GROUPS>
approved; experimental

> <GENERIC_NAME>
Ferric chloride

> <SYNONYMS>
Ferric chloride, anhydrous; Iron (III) chloride; Iron chloride; Iron perchloride

> <PRODUCTS>
Addamel N; Addnutriv

> <SALTS>
Ferric chloride hexahydrate

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