Molecule

ID:75480

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉BrO₂
Molecular Mass
265.10266
Exact Mass
263.97859153
Charge
0
InChI
InChI=1S/C12H9BrO2/c1-15-12(14)10-6-7-11(13)9-5-3-2-4-8(9)10/h2-7H,1H3
InChIKey
NSWYFJWAOXYZDF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(c2c1cccc2)Br
Isomeric Smiles
O=C(c1ccc(c2ccccc12)Br)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7349522
LogD (pH = 7.4)
3.7349522
Log P
3.7349522
Molar Refractivity
62.1563
Polarizability
24.952465
Polar Surface Area
26.3
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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