Molecule

ID:83799

General Information
Structure
MolImage
Molecular Formula
C₂₂H₁₇BrO₂
Molecular Mass
393.27318
Exact Mass
392.04119178
Charge
0
InChI
InChI=1S/C22H17BrO2/c23-19-13-10-17(11-14-19)12-15-21(24)20-8-4-5-9-22(20)25-16-18-6-2-1-3-7-18/h1-15H,16H2
InChIKey
VCACIBSDCCBXGX-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cc1)/C=C/C(=O)c1ccccc1OCc1ccccc1
Isomeric Smiles
O(c1ccccc1C(=O)/C=C/c1ccc(cc1)Br)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
16.382656
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.2258797
LogD (pH = 7.4)
6.2258797
Log P
6.2258797
Molar Refractivity
105.5756
Polarizability
40.092014
Polar Surface Area
26.3
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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