Molecule

ID:22203

General Information
Structure
MolImage
Molecular Formula
C₉H₅BrO₂
Molecular Mass
225.0388
Exact Mass
223.9472914
Charge
0
InChI
InChI=1S/C9H5BrO2/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-5H
InChIKey
UPEGFMDITWHVHV-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc2c(o1)ccc(c2)Br
Isomeric Smiles
c1(ccc2c(c1)cc(o2)C=O)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5336254
LogD (pH = 7.4)
2.5336254
Log P
2.5336254
Molar Refractivity
48.9834
Polarizability
19.384398
Polar Surface Area
30.21
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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