Molecule

ID:12466

General Information
Structure
Molecular Formula
C₁₁H₁₂N₂O₂S₂
Molecular Mass
268.35518
Exact Mass
268.03401963
Charge
0
InChI
InChI=1S/C11H12N2O2S2/c1-8-2-4-10(5-3-8)17(14,15)7-9-6-16-11(12)13-9/h2-6H,7H2,1H3,(H2,12,13)
InChIKey
WEGQBJREVMHCEB-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)S(=O)(=O)Cc1csc(n1)N
Isomeric Smiles
c1(nc(sc1)N)CS(=O)(=O)c1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
14.147367
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.0768852
LogD (pH = 7.4)
2.1032567
Log P
2.1036053
Molar Refractivity
68.3263
Polarizability
26.611828
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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