Molecule

ID:84032

General Information
Structure
MolImage
Molecular Formula
C₆H₄Br₂ClN
Molecular Mass
285.36366
Exact Mass
282.83990081
Charge
0
InChI
InChI=1S/C6H4Br2ClN/c7-4-1-3(9)2-5(8)6(4)10/h1-2H,10H2
InChIKey
XEYLQXUJSOJWJV-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Br)c(c(c1)Br)N
Isomeric Smiles
Nc1c(cc(cc1Br)Cl)Br
Calculated Properties
JChem
Acid pKa
18.885752
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.2858331
LogD (pH = 7.4)
3.2858694
Log P
3.2858698
Molar Refractivity
50.8088
Polarizability
19.364246
Polar Surface Area
26.02
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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