Molecule

ID:106894

General Information
Structure
MolImage
Molecular Formula
C₃CaO₅
Molecular Mass
156.1071
Exact Mass
155.93716408
Charge
0
InChI
InChI=1S/C3H2O5.Ca/c4-1(2(5)6)3(7)8;/h(H,5,6)(H,7,8);/q;+2/p-2
InChIKey
YYJSBERANQTJJH-UHFFFAOYSA-L
Canonic Smiles
O=C(C(=O)[O-])C(=O)[O-].[Ca+2]
Isomeric Smiles
[Ca+2].[O-]C(=O)C(=O)C(=O)[O-]
Calculated Properties
JChem
Acid pKa
1.5608712
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
-6.0868196
LogD (pH = 7.4)
-7.00346
Log P
0.025468098
Molar Refractivity
41.4588
Polarizability
7.6208377
Polar Surface Area
97.33
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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