Molecule

ID:111241

General Information
Structure
MolImage
Molecular Formula
C₇H₇KO₅S
Molecular Mass
242.29078
Exact Mass
241.965126
Charge
0
InChI
InChI=1S/C7H8O5S.K/c8-5-12-6-3-1-2-4-7(6)13(9,10)11;/h1-4,8H,5H2,(H,9,10,11);/q;+1/p-1
InChIKey
PAJKNOSXRSQQQR-UHFFFAOYSA-M
Canonic Smiles
OCOc1ccccc1S(=O)(=O)[O-].[K+]
Isomeric Smiles
[K+].OCOc1ccccc1S(=O)(=O)[O-]
Calculated Properties
JChem
Acid pKa
-2.4665596
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.9599175
LogD (pH = 7.4)
-1.9599205
Log P
-1.7042133
Molar Refractivity
43.1238
Polarizability
18.10632
Polar Surface Area
86.66
Rotatable Bonds
3
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
References
Bioactivity
Navigation