Molecule

ID:122031

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClNO₂S
Molecular Mass
259.75236
Exact Mass
259.04337737
Charge
0
InChI
InChI=1S/C11H14ClNO2S/c12-10-3-1-9(2-4-10)7-13-11-5-6-16(14,15)8-11/h1-4,11,13H,5-8H2
InChIKey
DESXOIJHQSQDQY-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)CNC1CCS(=O)(=O)C1
Isomeric Smiles
S1(=O)(=O)CC(NCc2ccc(Cl)cc2)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.53399
LogD (pH = 7.4)
0.19969715
Log P
0.9157229
Molar Refractivity
64.6618
Polarizability
26.389212
Polar Surface Area
46.17
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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