Molecule

ID:13527

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClNO₂S
Molecular Mass
261.76824
Exact Mass
261.05902744
Charge
0
InChI
InChI=1S/C11H15NO2S.ClH/c13-15(14)7-6-11(9-15)12-8-10-4-2-1-3-5-10;/h1-5,11-12H,6-9H2;1H
InChIKey
MQHJLOORBPGTCO-UHFFFAOYSA-N
Canonic Smiles
O=S1(=O)CCC(C1)NCc1ccccc1.Cl
Isomeric Smiles
c1cccc(c1)CNC1CS(=O)(=O)CC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.2377648
LogD (pH = 7.4)
-0.50525004
Log P
0.31167826
Molar Refractivity
59.857
Polarizability
24.502571
Polar Surface Area
46.17
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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