Molecule

ID:109051

General Information
Structure
MolImage
Molecular Formula
C₇H₅BrO
Molecular Mass
185.018
Exact Mass
183.95237678
Charge
0
InChI
InChI=1S/C7H5BrO/c8-7(9)6-4-2-1-3-5-6/h1-5H
InChIKey
AQIHMSVIAGNIDM-UHFFFAOYSA-N
Canonic Smiles
BrC(=O)c1ccccc1
Isomeric Smiles
BrC(=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3142111
LogD (pH = 7.4)
2.3142111
Log P
2.3142111
Molar Refractivity
39.7716
Polarizability
14.998093
Polar Surface Area
17.07
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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