Molecule

ID:8797

General Information
Structure
Molecular Formula
C₇H₅BrO
Molecular Mass
185.018
Exact Mass
183.95237678
Charge
0
InChI
InChI=1S/C7H5BrO/c8-7-3-1-2-6(4-7)5-9/h1-5H
InChIKey
SUISZCALMBHJQX-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)Br
Isomeric Smiles
c1cc(cc(c1)C=O)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4545007
LogD (pH = 7.4)
2.4545007
Log P
2.4545007
Molar Refractivity
40.2648
Polarizability
15.051886
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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