Mrv0541 02231215172D          

  3  0  0  0  0  0            999 V2000
    2.8660   -0.2500    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    3.7321    0.2500    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
M  CHG  3   1   2   2  -1   3  -1
M  END
> <DRUGBANK_ID>
DB01164

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Calcium Chloride

> <SYNONYMS>
Anhydrous calcium chloride; Calcium chloride anhydrous; Calcium chloride dihydrate; Calcium Chloride Dihydrate BP; Calcium chloride fused; Calcium chloride pellets; Calcium chloride, dihydrate; Chip calcium chloride; Liquid calcium chloride

> <BRANDS>
Calcosan; Caloride; Calplus; Caltac; Dowflake; Homberg's phosphorus; HSDB 923; Huppert's reagent; Jarcal; Liquical; Liquidow; Peladow; Snomelt; Superflake anhydrous; Sure-step; Unichem calchlor; Uramine MC

> <CHEMICAL_FORMULA>
CaCl2

> <MOLECULAR_WEIGHT>
110.984

> <EXACT_MASS>
109.900296569

> <IUPAC_NAME>
calcium dichloride

> <INCHI_IDENTIFIER>
InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2

> <INCHI_KEY>
InChIKey=UXVMQQNJUSDDNG-UHFFFAOYSA-L

> <SMILES>
[Cl-].[Cl-].[Ca++]

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_LOGP>
-0.57

> <JCHEM_POLARIZABILITY>
1.78

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

$$$$