Molecule

ID:122713

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂O₄S₂
Molecular Mass
236.26872
Exact Mass
235.99254875
Charge
0
InChI
InChI=1S/C6H8N2O4S2/c1-3-4(5(9)10)7-6(13-3)8-14(2,11)12/h1-2H3,(H,7,8)(H,9,10)
InChIKey
CLQAQHCJFJHEOI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1nc(sc1C)NS(=O)(=O)C
Isomeric Smiles
c1(nc(NS(=O)(=O)C)sc1C)C(=O)O
Calculated Properties
JChem
Acid pKa
2.989868
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-2.123974
LogD (pH = 7.4)
-3.7367787
Log P
0.37872183
Molar Refractivity
49.3634
Polarizability
19.694967
Polar Surface Area
96.36
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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