Molecule

ID:79869

General Information
Structure
Molecular Formula
C₇H₅NaO₄S₂
Molecular Mass
240.23197
Exact Mass
239.95269492
Charge
0
InChI
InChI=1S/C7H6O4S2.Na/c8-7(12-13(9,10)11)6-4-2-1-3-5-6;/h1-5H,(H,9,10,11);/q;+1/p-1
InChIKey
GFXGEYRGSJIPHJ-UHFFFAOYSA-M
Canonic Smiles
[Na]OS(=O)(=O)SC(=O)c1ccccc1
Isomeric Smiles
S(=O)(=O)(SC(=O)c1ccccc1)O[Na]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7571
LogD (pH = 7.4)
2.7571
Log P
2.7571
Molar Refractivity
48.8217
Polarizability
21.98369
Polar Surface Area
60.44
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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