Molecule

ID:33357

General Information
Structure
MolImage
Molecular Formula
C₈H₈N₂O₃S₂
Molecular Mass
244.29072
Exact Mass
243.99763413
Charge
0
InChI
InChI=1S/C8H8N2O3S2/c1-14-8-10-6-4-5(15(9,11)12)2-3-7(6)13-8/h2-4H,1H3,(H2,9,11,12)
InChIKey
ZUHWOYZDZXOVQM-UHFFFAOYSA-N
Canonic Smiles
CSc1oc2c(n1)cc(cc2)S(=O)(=O)N
Isomeric Smiles
S(=O)(=O)(c1cc2nc(oc2cc1)SC)N
Calculated Properties
JChem
Acid pKa
9.871248
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2383469
LogD (pH = 7.4)
1.2370658
Log P
1.2383633
Molar Refractivity
57.1132
Polarizability
24.061699
Polar Surface Area
86.19
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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