Molecule

ID:54748

General Information
Structure
MolImage
Molecular Formula
C₆H₇KO₇
Molecular Mass
230.21388
Exact Mass
229.98288424
Charge
0
InChI
InChI=1S/C6H8O7.K/c7-3(8)1-2(5(10)11)4(9)6(12)13;/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13);/q;+1/p-1
InChIKey
IVLPTBJBFVJENN-UHFFFAOYSA-M
Canonic Smiles
OC(=O)CC(C(C(=O)[O-])O)C(=O)O.[K+]
Isomeric Smiles
C(C(C(=O)[O-])O)(C(=O)O)CC(=O)O.[K+]
Calculated Properties
JChem
Acid pKa
3.0683239
H Acceptors
7
H Donor
3
LogD (pH = 5.5)
-5.0456996
LogD (pH = 7.4)
-9.57552
Log P
-1.4463283
Molar Refractivity
46.5532
Polarizability
14.359511
Polar Surface Area
134.96
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation