Mrv1572004031616552D          

 22 12  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
   16.5196  -16.2446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2341  -15.8321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8052  -15.8321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5446  -16.1268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8302  -15.7143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2591  -15.7143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4804  -19.3482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1948  -19.7607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7659  -19.7607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5054  -19.3679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7909  -19.7804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2198  -19.7804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2321  -17.8161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6446  -18.5305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6446  -17.1016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1661  -17.7964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7536  -18.5109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7536  -17.0820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  CHG  4   1  -1   2  -1   3  -1   4   3
M  END
> <DATABASE_ID>
DBSALT001828

> <DATABASE_NAME>
drugbank

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

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

> <INCHI_KEY>
LJAOOBNHPFKCDR-UHFFFAOYSA-K

> <FORMULA>
Cl3CrH12O6

> <MOLECULAR_WEIGHT>
266.44

> <EXACT_MASS>
264.910452

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
22

> <JCHEM_AVERAGE_POLARIZABILITY>
1.5082203897359623

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
2.09

> <JCHEM_LOGP>
-0.6519999999999999

> <ALOGPS_LOGS>
-1.43

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.7

> <JCHEM_PKA_STRONGEST_BASIC>
-1.7999999999999998

> <JCHEM_POLAR_SURFACE_AREA>
25.3

> <JCHEM_REFRACTIVITY>
3.7

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.83e+00 g/l

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

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBSALT001828

> <NAME>
Chromic chloride hexahydrate

> <DRUG_DRUGBANK_ID>
DB09129

> <DRUG_NAME>
Chromic chloride

> <CAS_NUMBER>
10060-12-5

> <UNII>
KB1PCR9DMW

$$$$