Molecule

ID:114625

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂ClNO₃S
Molecular Mass
273.73588
Exact Mass
273.02264193
Charge
0
InChI
InChI=1S/C11H12ClNO3S/c12-11(14)9-3-5-10(6-4-9)17(15,16)13-7-1-2-8-13/h3-6H,1-2,7-8H2
InChIKey
YFGJTXSHQFLFGW-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccc(cc1)S(=O)(=O)N1CCCC1
Isomeric Smiles
S(=O)(=O)(N1CCCC1)c1ccc(C(=O)Cl)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6233387
LogD (pH = 7.4)
1.6233387
Log P
1.6233387
Molar Refractivity
66.665
Polarizability
26.071676
Polar Surface Area
54.45
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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