Molecule

ID:102727

General Information
Structure
MolImage
Molecular Formula
C₆H₉KO₈
Molecular Mass
248.22916
Exact Mass
247.99344893
Charge
0
InChI
InChI=1S/C6H10O8.K/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;/h1-4,7-10H,(H,11,12)(H,13,14);/q;+1/p-1
InChIKey
UBYZGUWQNIEQMH-UHFFFAOYSA-M
Canonic Smiles
OC(C(C(C(C(=O)O)O)O)O)C(=O)[O-].[K+]
Isomeric Smiles
[K+].OC(C(O)C(O)C(=O)[O-])C(O)C(=O)O
Calculated Properties
JChem
H Acceptors
8
H Donor
5
LogD (pH = 5.5)
-7.6667438
LogD (pH = 7.4)
-9.969251
Log P
-3.0894697
Molar Refractivity
48.9755
Polarizability
15.770015
Polar Surface Area
158.35
Rotatable Bonds
5
Lipinski's Rule of Five
true
Acid pKa
2.8286042
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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