Molecule

ID:79916

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClNO₂S
Molecular Mass
261.76824
Exact Mass
261.05902744
Charge
0
InChI
InChI=1S/C11H15NO2S.ClH/c1-15(13,14)8-7-11(12)9-10-5-3-2-4-6-10;/h2-8,11H,9,12H2,1H3;1H/t11-;/m0./s1
InChIKey
UJCKXQIBITWDIW-MERQFXBCSA-N
Canonic Smiles
N[C@H](Cc1ccccc1)/C=C/S(=O)(=O)C.Cl
Isomeric Smiles
N[C@@H](/C=C/S(=O)(=O)C)Cc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.2756305
LogD (pH = 7.4)
-0.7463502
Log P
0.50325954
Molar Refractivity
62.2131
Polarizability
24.91436
Polar Surface Area
60.16
Rotatable Bonds
4
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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