Molecule

ID:27677

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆N₂O₂S₂
Molecular Mass
296.40834
Exact Mass
296.06531976
Charge
0
InChI
InChI=1S/C13H16N2O2S2/c1-11-3-2-8-15(9-11)19(16,17)13-6-4-12(5-7-13)14-10-18/h4-7,11H,2-3,8-9H2,1H3
InChIKey
OXSMLEXBNZWGCK-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccc(cc1)S(=O)(=O)N1CCCC(C1)C
Isomeric Smiles
S(=O)(=O)(N1CC(CCC1)C)c1ccc(N=C=S)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.2637925
LogD (pH = 7.4)
3.263793
Log P
3.263793
Molar Refractivity
81.6858
Polarizability
31.614817
Polar Surface Area
49.74
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
No Data Available
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Molecule Details
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References
Bioactivity
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