Molecule

ID:78740

General Information
Structure
MolImage
Molecular Formula
C₇H₅BrCl₂
Molecular Mass
239.9246
Exact Mass
237.89516752
Charge
0
InChI
InChI=1S/C7H5BrCl2/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2
InChIKey
PDFGFQUSSYSWNI-UHFFFAOYSA-N
Canonic Smiles
BrCc1c(Cl)cccc1Cl
Isomeric Smiles
BrCc1c(cccc1Cl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.9540725
LogD (pH = 7.4)
3.9540725
Log P
3.9540725
Molar Refractivity
48.518
Polarizability
18.765429
Polar Surface Area
0.0
Rotatable Bonds
1
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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