Molecule

ID:71205

General Information
Structure
MolImage
Molecular Formula
C₈H₆BrClO
Molecular Mass
233.48964
Exact Mass
231.92905449
Charge
0
InChI
InChI=1S/C8H6BrClO/c9-4-6-2-1-3-8(10)7(6)5-11/h1-3,5H,4H2
InChIKey
NUNAJBBOGNCZCI-UHFFFAOYSA-N
Canonic Smiles
BrCc1cccc(c1C=O)Cl
Isomeric Smiles
C(=O)c1c(cccc1Cl)CBr
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0625303
LogD (pH = 7.4)
3.0625303
Log P
3.0625303
Molar Refractivity
50.2972
Polarizability
18.75628
Polar Surface Area
17.07
Rotatable Bonds
2
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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