Molecule

ID:143

General Information
Structure
MolImage
Molecular Formula
C₄H₆CaO₄
Molecular Mass
158.16604
Exact Mass
157.98919965
Charge
0
InChI
InChI=1S/2C2H4O2.Ca/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
InChIKey
VSGNNIFQASZAOI-UHFFFAOYSA-L
Canonic Smiles
[O-]C(=O)C.[O-]C(=O)C.[Ca+2]
Isomeric Smiles
[Ca+2].[O-]C(=O)C.[O-]C(=O)C
Calculated Properties
JChem
LogD (pH = 7.4)
-3.00
LogD (pH = 5.5)
-1.22
Log P
-0.22
Rotatable Bonds
0
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
4.54
Polar Surface Area
40.13
Polarizability
4.96
Molar Refractivity
23.48
LOG S
0.63
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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