Molecule

ID:110627

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇CaO₄P
Molecular Mass
262.211941
Exact Mass
261.97078631
Charge
0
InChI
InChI=1S/C10H9O4P.Ca/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,(H2,11,12,13);/q;+2/p-2
InChIKey
JHWQTXKKDJLMPZ-UHFFFAOYSA-L
Canonic Smiles
[O-]P(=O)(Oc1cccc2c1cccc2)[O-].[Ca+2]
Isomeric Smiles
[Ca+2].[O-]P(=O)([O-])Oc1c2ccccc2ccc1
Calculated Properties
JChem
Acid pKa
1.7687037
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.3771822
LogD (pH = 7.4)
-1.1169077
Log P
2.0052922
Molar Refractivity
53.1186
Polarizability
22.449516
Polar Surface Area
72.42
Rotatable Bonds
2
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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