Molecule

ID:67617

General Information
Structure
MolImage
Molecular Formula
C₉H₅BrO₂
Molecular Mass
225.0388
Exact Mass
223.9472914
Charge
0
InChI
InChI=1S/C9H5BrO2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H
InChIKey
XXRJDOQENVGLJT-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)ccc(=O)o2
Isomeric Smiles
c1(=O)ccc2cc(ccc2o1)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5521123
LogD (pH = 7.4)
2.5521123
Log P
2.5521123
Molar Refractivity
49.1714
Polarizability
18.552605
Polar Surface Area
26.3
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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