Molecule

ID:14626

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₂S
Molecular Mass
240.32194
Exact Mass
240.09324876
Charge
0
InChI
InChI=1S/C11H16N2O2S/c12-9-4-3-7-11(8-9)16(14,15)13-10-5-1-2-6-10/h3-4,7-8,10,13H,1-2,5-6,12H2
InChIKey
GYCJEOLLXLZFCM-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)S(=O)(=O)NC1CCCC1
Isomeric Smiles
c1(S(=O)(=O)NC2CCCC2)cc(ccc1)N
Calculated Properties
JChem
Acid pKa
10.249576
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.3283687
LogD (pH = 7.4)
1.3281806
Log P
1.3287286
Molar Refractivity
64.2262
Polarizability
25.230495
Polar Surface Area
72.19
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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