Molecule

ID:72794

General Information
Structure
MolImage
Molecular Formula
C₂H₅NaO₃S₂
Molecular Mass
164.17907
Exact Mass
163.9577803
Charge
0
InChI
InChI=1S/C2H6O3S2.Na/c3-7(4,5)2-1-6;/h6H,1-2H2,(H,3,4,5);/q;+1/p-1
InChIKey
XOGTZOOQQBDUSI-UHFFFAOYSA-M
Canonic Smiles
SCCS(=O)(=O)O[Na]
Isomeric Smiles
SCCS(=O)(=O)O[Na]
Calculated Properties
JChem
Acid pKa
10.021164
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.13918817
LogD (pH = 7.4)
0.13826104
Log P
0.1392
Molar Refractivity
27.9158
Polarizability
14.144377
Polar Surface Area
43.37
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