Molecule

ID:88894

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₃BrO
Molecular Mass
337.20992
Exact Mass
336.01497704
Charge
0
InChI
InChI=1S/C19H13BrO/c20-18-12-10-15(11-13-18)14-6-8-17(9-7-14)19(21)16-4-2-1-3-5-16/h1-13H
InChIKey
ITMLYLPKSFZCJK-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cc1)c1ccc(cc1)C(=O)c1ccccc1
Isomeric Smiles
Brc1ccc(cc1)c1ccc(cc1)C(=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.848577
LogD (pH = 7.4)
5.848577
Log P
5.848577
Molar Refractivity
89.3925
Polarizability
35.56283
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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