Molecule

ID:129046

General Information
Structure
MolImage
Molecular Formula
C₆H₈K₂O₄
Molecular Mass
222.32192
Exact Mass
221.9696721
Charge
0
InChI
InChI=1S/C6H10O4.2K/c7-5(8)3-1-2-4-6(9)10;;/h1-4H2,(H,7,8)(H,9,10);;/q;2*+1/p-2
InChIKey
GCHCGDFZHOEXMP-UHFFFAOYSA-L
Canonic Smiles
[O-]C(=O)CCCCC(=O)[O-].[K+].[K+]
Isomeric Smiles
C(CCC(=O)[O-])CC(=O)[O-].[K+].[K+]
Calculated Properties
JChem
Acid pKa
3.9174685
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-1.9542978
LogD (pH = 7.4)
-5.3871665
Log P
0.49065435
Molar Refractivity
54.4132
Polarizability
12.73627
Polar Surface Area
80.26
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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