Molecule

ID:112555

General Information
Structure
MolImage
Molecular Formula
C₂H₃NaO₃S
Molecular Mass
130.09819
Exact Mass
129.97005924
Charge
0
InChI
InChI=1S/C2H4O3S.Na/c1-2-6(3,4)5;/h2H,1H2,(H,3,4,5);/q;+1/p-1
InChIKey
BWYYYTVSBPRQCN-UHFFFAOYSA-M
Canonic Smiles
C=CS(=O)(=O)[O-].[Na+]
Isomeric Smiles
[Na+].[O-]S(=O)(=O)C=C
Calculated Properties
JChem
Acid pKa
-1.3254603
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-2.6044092
LogD (pH = 7.4)
-2.6044242
Log P
-0.22802569
Molar Refractivity
19.5668
Polarizability
8.832029
Polar Surface Area
57.2
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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