Molecule

ID:16305

General Information
Structure
MolImage
Molecular Formula
C₈H₉ClO₂S
Molecular Mass
204.67386
Exact Mass
204.00117821
Charge
0
InChI
InChI=1S/C8H9ClO2S/c1-6-3-7(2)5-8(4-6)12(9,10)11/h3-5H,1-2H3
InChIKey
LSAGRAXLOLZVKO-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(cc(c1)C)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1cc(cc(c1)C)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9463916
LogD (pH = 7.4)
2.9463916
Log P
2.9463916
Molar Refractivity
50.3346
Polarizability
19.912037
Polar Surface Area
34.14
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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