Molecule

ID:22524

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O₂S₂
Molecular Mass
268.35518
Exact Mass
268.03401963
Charge
0
InChI
InChI=1S/C11H12N2O2S2/c1-2-17(14,15)9-5-3-8(4-6-9)10-7-16-11(12)13-10/h3-7H,2H2,1H3,(H2,12,13)
InChIKey
WLRVDVRBLLVHOH-UHFFFAOYSA-N
Canonic Smiles
CCS(=O)(=O)c1ccc(cc1)c1csc(n1)N
Isomeric Smiles
s1c(nc(c1)c1ccc(cc1)S(=O)(=O)CC)N
Calculated Properties
JChem
Acid pKa
16.69258
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.8545567
LogD (pH = 7.4)
1.8695493
Log P
1.8697441
Molar Refractivity
68.8735
Polarizability
28.005358
Polar Surface Area
73.05
Rotatable Bonds
3
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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