Molecule

ID:92114

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁BrO₂
Molecular Mass
303.15064
Exact Mass
301.99424159
Charge
0
InChI
InChI=1S/C15H11BrO2/c16-10-11-6-8-13(9-7-11)15(18)14(17)12-4-2-1-3-5-12/h1-9H,10H2
InChIKey
QELAVTMDKHSMOP-UHFFFAOYSA-N
Canonic Smiles
BrCc1ccc(cc1)C(=O)C(=O)c1ccccc1
Isomeric Smiles
BrCc1ccc(cc1)C(=O)C(=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.0174637
LogD (pH = 7.4)
4.0174637
Log P
4.0174637
Molar Refractivity
74.9232
Polarizability
28.171679
Polar Surface Area
34.14
Rotatable Bonds
4
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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