Molecule

ID:101549

General Information
Structure
MolImage
Molecular Formula
C₈H₅ClO₃S
Molecular Mass
216.6415
Exact Mass
215.9647927
Charge
0
InChI
InChI=1S/C8H5ClO3S/c9-13(10,11)7-3-1-2-6-4-5-12-8(6)7/h1-5H
InChIKey
MEOOVUNNRYYGCV-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1cccc2c1occ2
Isomeric Smiles
S(=O)(=O)(c1c2occc2ccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0786722
LogD (pH = 7.4)
2.0786722
Log P
2.0786722
Molar Refractivity
49.0933
Polarizability
20.767878
Polar Surface Area
47.28
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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