Molecule
ID:1035
General Information
Molecular Formula
CaCl₂
Molecular Mass
110.984
Exact Mass
109.90029634
Charge
0
InChI
InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2
InChIKey
UXVMQQNJUSDDNG-UHFFFAOYSA-L
Canonic Smiles
[Cl-].[Cl-].[Ca+2]
Isomeric Smiles
[Ca+2].[Cl-].[Cl-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
0.8327582
LogD (pH = 7.4)
0.8327582
Log P
0.6123387
Molar Refractivity
5.6156
Polarizability
2.1090326
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Acid pKa
-7.0
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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