Molecule

ID:15126

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)13-6(7-3)8-14(2,11)12/h1-2H3,(H,7,8)(H,9,10)
InChIKey
RDSIODJZQJVHRQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1sc(nc1C)NS(=O)(=O)C
Isomeric Smiles
c1(nc(sc1C(=O)O)NS(=O)(=O)C)C
Calculated Properties
JChem
Acid pKa
3.1060312
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-2.7790887
LogD (pH = 7.4)
-4.4492445
Log P
-0.3891797
Molar Refractivity
49.0547
Polarizability
19.694828
Polar Surface Area
96.36
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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