Molecule

ID:10346

General Information
Structure
MolImage
Molecular Formula
C₇H₆BrClO₂S
Molecular Mass
269.54334
Exact Mass
267.89604011
Charge
0
InChI
InChI=1S/C7H6BrClO2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5H2
InChIKey
QXTQWYZHHMQSQH-UHFFFAOYSA-N
Canonic Smiles
BrCc1ccc(cc1)S(=O)(=O)Cl
Isomeric Smiles
c1cc(ccc1S(=O)(=O)Cl)CBr
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6922863
LogD (pH = 7.4)
2.6922863
Log P
2.6922863
Molar Refractivity
53.1026
Polarizability
21.11509
Polar Surface Area
34.14
Rotatable Bonds
2
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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