Molecule
ID:126352
General Information
Molecular Formula
CaO₂
Molecular Mass
72.0768
Exact Mass
71.95242022
Charge
0
InChI
InChI=1S/Ca.O2/c;1-2/q+2;-2
InChIKey
LHJQIRIGXXHNLA-UHFFFAOYSA-N
Canonic Smiles
[O-][O-].[Ca+2]
Isomeric Smiles
[Ca+2].[O-][O-]
Calculated Properties
JChem
Acid pKa
11.520607
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.44720283
LogD (pH = 7.4)
-0.44723517
Log P
-0.4472024
Molar Refractivity
2.8858
Polarizability
1.6641
Polar Surface Area
46.12
Rotatable Bonds
0
Lipinski's Rule of Five
true
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
No Data Available
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Bioactivity
Irritant (Xi)
Oxidising (O)
Corrosive (C)