Molecule

ID:102978

General Information
Structure
MolImage
Molecular Formula
C₂H₅NaO₄S
Molecular Mass
148.11347
Exact Mass
147.98062392
Charge
0
InChI
InChI=1S/C2H6O4S.Na/c3-1-2-7(4,5)6;/h3H,1-2H2,(H,4,5,6);/q;+1/p-1
InChIKey
LADXKQRVAFSPTR-UHFFFAOYSA-M
Canonic Smiles
OCCS(=O)(=O)[O-].[Na+]
Isomeric Smiles
[Na+].OCCS(=O)(=O)[O-]
Calculated Properties
JChem
Acid pKa
-1.4437075
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.8746734
LogD (pH = 7.4)
-3.874685
Log P
-2.9093919
Molar Refractivity
21.8259
Polarizability
9.816424
Polar Surface Area
77.43
Rotatable Bonds
2
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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