Molecule

ID:10345

General Information
Structure
MolImage
Molecular Formula
C₈H₈BrClO₂S
Molecular Mass
283.56992
Exact Mass
281.91169018
Charge
0
InChI
InChI=1S/C8H8BrClO2S/c1-2-6-5-7(9)3-4-8(6)13(10,11)12/h3-5H,2H2,1H3
InChIKey
UOIVESXBURLTPX-UHFFFAOYSA-N
Canonic Smiles
CCc1cc(Br)ccc1S(=O)(=O)Cl
Isomeric Smiles
c1cc(cc(c1S(=O)(=O)Cl)CC)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6462915
LogD (pH = 7.4)
3.6462915
Log P
3.6462915
Molar Refractivity
57.5172
Polarizability
22.935564
Polar Surface Area
34.14
Rotatable Bonds
2
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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