Molecule

ID:80766

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇BrO₂
Molecular Mass
239.06538
Exact Mass
237.96294146
Charge
0
InChI
InChI=1S/C10H7BrO2/c11-5-9(12)8-6-13-10-4-2-1-3-7(8)10/h1-4,6H,5H2
InChIKey
WVHFTONHSRLBGL-UHFFFAOYSA-N
Canonic Smiles
BrCC(=O)c1coc2c1cccc2
Isomeric Smiles
o1cc(c2c1cccc2)C(=O)CBr
Calculated Properties
JChem
Acid pKa
14.410499
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4128559
LogD (pH = 7.4)
2.4128559
Log P
2.4128559
Molar Refractivity
53.0386
Polarizability
21.111277
Polar Surface Area
30.21
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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