Molecule

ID:109341

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀CaO₄
Molecular Mass
186.2192
Exact Mass
186.02049978
Charge
0
InChI
InChI=1S/2C3H6O2.Ca/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+2/p-2
InChIKey
BCZXFFBUYPCTSJ-UHFFFAOYSA-L
Canonic Smiles
CCC(=O)[O-].CCC(=O)[O-].[Ca+2]
Isomeric Smiles
[Ca+2].CCC(=O)[O-].CCC(=O)[O-]
Calculated Properties
JChem
Acid pKa
4.754671
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.3392157
LogD (pH = 7.4)
-2.115821
Log P
0.47719014
Molar Refractivity
28.1077
Polarizability
6.7159452
Polar Surface Area
40.13
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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