Molecule
ID:67078
General Information
Molecular Formula
C₉H₅BrO₂
Molecular Mass
225.0388
Exact Mass
223.9472914
Charge
0
InChI
InChI=1S/C9H5BrO2/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5H
InChIKey
BIVMXYHSBRLPDE-UHFFFAOYSA-N
Canonic Smiles
O=c1ccc2c(o1)c(Br)ccc2
Isomeric Smiles
c1(=O)ccc2c(o1)c(ccc2)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
18.55978
Polar Surface Area
26.3
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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