Molecule

ID:24202

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClNO₃S
Molecular Mass
261.72518
Exact Mass
261.02264193
Charge
0
InChI
InChI=1S/C10H12ClNO3S/c1-6-5-10(16(11,14)15)7(2)4-9(6)12-8(3)13/h4-5H,1-3H3,(H,12,13)
InChIKey
JHXCPQSHKJZIOG-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1cc(C)c(cc1C)S(=O)(=O)Cl
Isomeric Smiles
c1(c(cc(c(c1)C)NC(=O)C)C)S(=O)(=O)Cl
Calculated Properties
JChem
Acid pKa
13.448875
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.184102
LogD (pH = 7.4)
2.1841016
Log P
2.184102
Molar Refractivity
65.1976
Polarizability
24.846176
Polar Surface Area
63.24
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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