Molecule

ID:79075

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClNO₂S
Molecular Mass
241.69402
Exact Mass
240.99642718
Charge
0
InChI
InChI=1S/C10H8ClNO2S/c11-9-3-5-10(6-4-9)15(13,14)12-7-1-2-8-12/h1-8H
InChIKey
ACNNPPGRQRFTSO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)S(=O)(=O)n1cccc1
Isomeric Smiles
S(=O)(=O)(n1cccc1)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5865486
LogD (pH = 7.4)
2.5865486
Log P
2.5865486
Molar Refractivity
58.6419
Polarizability
23.657646
Polar Surface Area
39.07
Rotatable Bonds
1
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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