Molecule

ID:89040

General Information
Structure
MolImage
Molecular Formula
C₆H₂BrCl₃O₂S
Molecular Mass
324.40688
Exact Mass
321.80244534
Charge
0
InChI
InChI=1S/C6H2BrCl3O2S/c7-3-1-4(8)6(5(9)2-3)13(10,11)12/h1-2H
InChIKey
CKJIKXAPXLPSCL-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Br)cc(c1S(=O)(=O)Cl)Cl
Isomeric Smiles
S(=O)(=O)(c1c(cc(cc1Cl)Br)Cl)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
23.472479
Polar Surface Area
34.14
Rotatable Bonds
1
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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