Molecule

ID:92308

General Information
Structure
MolImage
Molecular Formula
C₆H₂BrCl₃
Molecular Mass
260.34308
Exact Mass
257.8405451
Charge
0
InChI
InChI=1S/C6H2BrCl3/c7-6-4(9)1-3(8)2-5(6)10/h1-2H
InChIKey
BAPPAFMEUDJAQI-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c(c(c1)Cl)Br
Isomeric Smiles
Brc1c(cc(cc1Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.5541325
LogD (pH = 7.4)
4.5541325
Log P
4.5541325
Molar Refractivity
48.0952
Polarizability
19.08721
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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