Molecule

ID:73767

General Information
Structure
MolImage
Molecular Formula
C₉H₈BrCl
Molecular Mass
231.51682
Exact Mass
229.94978994
Charge
0
InChI
InChI=1S/C9H8BrCl/c1-7(10)6-8-4-2-3-5-9(8)11/h2-5H,1,6H2
InChIKey
BJBQDHSUGTZDJK-UHFFFAOYSA-N
Canonic Smiles
BrC(=C)Cc1ccccc1Cl
Isomeric Smiles
Clc1c(cccc1)CC(=C)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.9214249
LogD (pH = 7.4)
3.9214249
Log P
3.9214249
Molar Refractivity
52.8383
Polarizability
20.166378
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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