Molecule

ID:108291

General Information
Structure
MolImage
Molecular Formula
CaO₆P₂
Molecular Mass
198.021922
Exact Mass
197.87960196
Charge
0
InChI
InChI=1S/Ca.2HO3P/c;2*1-4(2)3/h;2*(H,1,2,3)/q+2;;/p-2
InChIKey
ROPDWRCJTIRLTR-UHFFFAOYSA-L
Canonic Smiles
[O-]P(=O)=O.[O-]P(=O)=O.[Ca+2]
Isomeric Smiles
[Ca+2].[O-]P(=O)=O.[O-]P(=O)=O
Calculated Properties
JChem
Acid pKa
11.918209
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.90820014
LogD (pH = 7.4)
-0.9082131
Log P
-0.9082
Molar Refractivity
11.1647
Polarizability
4.634388
Polar Surface Area
57.2
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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