Molecule

ID:77396

General Information
Structure
Molecular Formula
C₁₄H₁₁BrO₂
Molecular Mass
291.13994
Exact Mass
289.99424159
Charge
0
InChI
InChI=1S/C14H11BrO2/c1-17-13-7-5-10(6-8-13)14(16)11-3-2-4-12(15)9-11/h2-9H,1H3
InChIKey
VIRBFLHMELPKFP-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(=O)c1cccc(c1)Br
Isomeric Smiles
O=C(c1cccc(c1)Br)c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.04368
LogD (pH = 7.4)
4.04368
Log P
4.04368
Molar Refractivity
70.7195
Polarizability
27.212208
Polar Surface Area
26.3
Rotatable Bonds
3
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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