Molecule

ID:84292

General Information
Structure
MolImage
Molecular Formula
C₆H₄BrCl₂N
Molecular Mass
240.91266
Exact Mass
238.89041649
Charge
0
InChI
InChI=1S/C6H4BrCl2N/c7-3-4-1-5(8)10-6(9)2-4/h1-2H,3H2
InChIKey
XDKGMGJZRFOZRV-UHFFFAOYSA-N
Canonic Smiles
BrCc1cc(Cl)nc(c1)Cl
Isomeric Smiles
n1c(cc(cc1Cl)CBr)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1767545
LogD (pH = 7.4)
3.1767545
Log P
3.1767545
Molar Refractivity
48.4837
Polarizability
18.086288
Polar Surface Area
12.89
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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