Molecule

ID:129050

General Information
Structure
MolImage
Molecular Formula
C₆H₇KO₆
Molecular Mass
214.21448
Exact Mass
213.98796962
Charge
0
InChI
InChI=1S/C6H8O6.K/c7-1-2(8)5-3(9)4(10)6(11)12-5;/h2,5,7-10H,1H2;/q;+1/p-1/t2-,5+;/m0./s1
InChIKey
CONVKSGEGAVTMB-RXSVEWSESA-M
Canonic Smiles
OC[C@@H]([C@H]1OC(=O)C(=C1[O-])O)O.[K+]
Isomeric Smiles
OC1=C([O-])[C@@H]([C@@H](O)CO)OC1=O.[K+]
Calculated Properties
JChem
Acid pKa
4.3599176
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-3.082243
LogD (pH = 7.4)
-4.8322015
Log P
-1.9135588
Molar Refractivity
47.5824
Polarizability
14.099697
Polar Surface Area
110.05
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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