Molecule

ID:22231

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉ClO₃S
Molecular Mass
268.71606
Exact Mass
267.99609283
Charge
0
InChI
InChI=1S/C12H9ClO3S/c13-17(14,15)12-8-6-11(7-9-12)16-10-4-2-1-3-5-10/h1-9H
InChIKey
QIZPONOMFWAPRR-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1ccc(cc1)Oc1ccccc1
Isomeric Smiles
ClS(=O)(=O)c1ccc(cc1)Oc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.419836
LogD (pH = 7.4)
3.419836
Log P
3.419836
Molar Refractivity
66.493
Polarizability
26.69256
Polar Surface Area
43.37
Rotatable Bonds
3
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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