Molecule

ID:89041

General Information
Structure
MolImage
Molecular Formula
C₆H₂BrCl₃O₂S
Molecular Mass
324.40688
Exact Mass
321.80244534
Charge
0
InChI
InChI=1S/C6H2BrCl3O2S/c7-4-1-3(8)2-5(9)6(4)13(10,11)12/h1-2H
InChIKey
FWBOGDGDIZUVFT-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c(c(c1)Br)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1c(cc(cc1Cl)Cl)Br)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.896391
LogD (pH = 7.4)
3.896391
Log P
3.896391
Molar Refractivity
57.4846
Polarizability
23.4574
Polar Surface Area
34.14
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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