Mrv1718002101817032D          

  9  0  0  0  0  0            999 V2000
   -1.9446    0.2062    0.0000 Sr  0  2  0  0  0  0  0  0  0  0  0  0
   -1.4732    0.9133    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
   -1.3848   -0.5303    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    0.6776    0.9723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7383    0.9723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6187    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9446    0.0589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5008   -0.9428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8856   -0.9723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
M  CHG  3   1   2   2  -1   3  -1
M  END
> <DATABASE_ID>
DBSALT002644

> <DATABASE_NAME>
drugbank

> <SMILES>
O.O.O.O.O.O.[Cl-].[Cl-].[Sr++]

> <INCHI_IDENTIFIER>
InChI=1S/2ClH.6H2O.Sr/h2*1H;6*1H2;/q;;;;;;;;+2/p-2

> <INCHI_KEY>
AMGRXJSJSONEEG-UHFFFAOYSA-L

> <FORMULA>
Cl2H12O6Sr

> <MOLECULAR_WEIGHT>
266.61

> <EXACT_MASS>
265.906707

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
21

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
strontium(2+) hexahydrate dichloride

> <ALOGPS_LOGP>
0.84

> <JCHEM_LOGP>
-0.3

> <ALOGPS_LOGS>
-0.49

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA>
3.55

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.09

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
0.0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.18e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
strontium chloride

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBSALT002644

> <NAME>
Strontium chloride hexahydrate

> <DRUG_DRUGBANK_ID>
DB13987

> <DRUG_NAME>
Strontium chloride

> <CAS_NUMBER>
10025-70-4

> <UNII>
O09USB7Z44

$$$$