Molecule

ID:126972

General Information
Structure
MolImage
Molecular Formula
Ca₂O₄P+
Molecular Mass
175.127361
Exact Mass
174.87860207
Charge
1
InChI
InChI=1S/2Ca.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q2*+2;/p-3
InChIKey
NEFBYIFKOOEVPA-UHFFFAOYSA-K
Canonic Smiles
[O-]P(=O)([O-])[O-].[Ca+2].[Ca+2]
Isomeric Smiles
[Ca+2].[Ca+2].[O-]P(=O)([O-])[O-]
Calculated Properties
JChem
Acid pKa
1.7961261
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-3.3916447
LogD (pH = 7.4)
-3.9718332
Log P
-1.0201038
Molar Refractivity
11.2868
Polarizability
5.564544
Polar Surface Area
86.25
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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