Molecule

ID:129082

General Information
Structure
Molecular Formula
C₄H₄K₂O₆
Molecular Mass
226.26756
Exact Mass
225.92820121
Charge
0
InChI
InChI=1S/C4H6O6.2K/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;/q;2*+1/p-2
InChIKey
AVTYONGGKAJVTE-UHFFFAOYSA-L
Canonic Smiles
OC(C(C(=O)[O-])O)C(=O)[O-].[K+].[K+]
Isomeric Smiles
C(C(C(=O)[O-])O)(C(=O)[O-])O.[K+].[K+]
Calculated Properties
JChem
Acid pKa
2.719041
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-5.323427
LogD (pH = 7.4)
-7.890869
Log P
-1.8287998
Molar Refractivity
47.8876
Polarizability
10.630576
Polar Surface Area
120.72
Rotatable Bonds
3
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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