Molecule

ID:112199

General Information
Structure
MolImage
Molecular Formula
CH₃NaO₃S
Molecular Mass
118.08749
Exact Mass
117.97005924
Charge
0
InChI
InChI=1S/CH4O3S.Na/c2-1-5(3)4;/h2H,1H2,(H,3,4);/q;+1/p-1
InChIKey
XWGJFPHUCFXLBL-UHFFFAOYSA-M
Canonic Smiles
[O-]S(=O)CO.[Na+]
Isomeric Smiles
[Na+].OCS(=O)[O-]
Calculated Properties
JChem
Acid pKa
-1.1928968
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.2043839
LogD (pH = 7.4)
-3.2043998
Log P
-0.9406
Molar Refractivity
15.6269
Polarizability
7.354944
Polar Surface Area
60.36
Rotatable Bonds
1
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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