Molecule

ID:88254

General Information
Structure
MolImage
Molecular Formula
C₈H₅BrO₂
Molecular Mass
213.0281
Exact Mass
211.9472914
Charge
0
InChI
InChI=1S/C8H5BrO2/c9-8-6(4-10)2-1-3-7(8)5-11/h1-5H
InChIKey
RZUSSKMZLHKMHU-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1Br)C=O
Isomeric Smiles
Brc1c(cccc1C=O)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1670032
LogD (pH = 7.4)
2.1670032
Log P
2.1670032
Molar Refractivity
46.8488
Polarizability
17.023722
Polar Surface Area
34.14
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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