Molecule

ID:56890

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂BrClO₂
Molecular Mass
339.61158
Exact Mass
337.9709193
Charge
0
InChI
InChI=1S/C15H12BrClO2/c1-10-4-2-3-5-11(10)9-19-14-7-6-12(16)8-13(14)15(17)18/h2-8H,9H2,1H3
InChIKey
UXAHXKAHDYEHHM-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)C(=O)Cl)OCc1ccccc1C
Isomeric Smiles
c1(cc(c(cc1)OCc1ccccc1C)C(=O)Cl)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.013134
LogD (pH = 7.4)
5.013134
Log P
5.013134
Molar Refractivity
80.9125
Polarizability
30.734102
Polar Surface Area
26.3
Rotatable Bonds
4
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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