Molecule

ID:43018

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀ClNO₂S
Molecular Mass
219.6885
Exact Mass
219.01207725
Charge
0
InChI
InChI=1S/C8H10ClNO2S/c1-6-3-4-7(5-8(6)9)10-13(2,11)12/h3-5,10H,1-2H3
InChIKey
IECJHCNQWJZFEH-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1Cl)NS(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(Nc1cc(c(cc1)C)Cl)C
Calculated Properties
JChem
Acid pKa
9.924016
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4638366
LogD (pH = 7.4)
1.4627017
Log P
1.4638511
Molar Refractivity
52.5872
Polarizability
21.160234
Polar Surface Area
46.17
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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