Molecule

ID:75793

General Information
Structure
MolImage
Molecular Formula
C₇H₅BrCl₂
Molecular Mass
239.9246
Exact Mass
237.89516752
Charge
0
InChI
InChI=1S/C7H5BrCl2/c1-4-6(8)2-5(9)3-7(4)10/h2-3H,1H3
InChIKey
SZUISTGVALPMKA-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c(c(c1)Br)C
Isomeric Smiles
Clc1c(c(cc(c1)Cl)Br)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.463509
LogD (pH = 7.4)
4.463509
Log P
4.463509
Molar Refractivity
48.3316
Polarizability
18.781067
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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