Molecule
ID:92610
General Information
Molecular Formula
C₁₂H₉BrO₂
Molecular Mass
265.10266
Exact Mass
263.97859153
Charge
0
InChI
InChI=1S/C12H9BrO2/c13-8-11(14)9-3-5-10(6-4-9)12-2-1-7-15-12/h1-7H,8H2
InChIKey
SONOLDBWXMKWPY-UHFFFAOYSA-N
Canonic Smiles
BrCC(=O)c1ccc(cc1)c1ccco1
Isomeric Smiles
o1cccc1c1ccc(cc1)C(=O)CBr
Calculated Properties
JChem
Acid pKa
15.339202
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9612045
LogD (pH = 7.4)
2.9612043
Log P
2.9612045
Molar Refractivity
61.7246
Polarizability
24.499647
Polar Surface Area
30.21
Rotatable Bonds
3
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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