Molecule

ID:6544

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrCl₂
Molecular Mass
225.89802
Exact Mass
223.87951746
Charge
0
InChI
InChI=1S/C6H3BrCl2/c7-5-2-1-4(8)3-6(5)9/h1-3H
InChIKey
ISHYFWKKWKXXPL-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)Br
Isomeric Smiles
c1(Cl)c(Br)ccc(c1)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.9500878
LogD (pH = 7.4)
3.9500878
Log P
3.9500878
Molar Refractivity
43.2904
Polarizability
17.068243
Polar Surface Area
0.0
Rotatable Bonds
0
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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