Molecule

ID:76388

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)12-9-5-4-8-11(12)16-10-6-2-1-3-7-10/h1-9H
InChIKey
MFBATEXBHGBONO-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1ccccc1Oc1ccccc1
Isomeric Smiles
S(=O)(=O)(c1ccccc1Oc1ccccc1)Cl
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
26.696266
Polar Surface Area
43.37
Rotatable Bonds
3
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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