Molecule

ID:81933

General Information
Structure
MolImage
Molecular Formula
C₂₂H₁₆Br₂O₂
Molecular Mass
472.16924
Exact Mass
469.95170375
Charge
0
InChI
InChI=1S/C22H16Br2O2/c23-19(15-9-3-1-4-10-15)22(24)20(25)17-13-7-8-14-18(17)26-21(22)16-11-5-2-6-12-16/h1-14,19,21H
InChIKey
ONSKQBKXYIPURM-UHFFFAOYSA-N
Canonic Smiles
BrC(C1(Br)C(=O)c2ccccc2OC1c1ccccc1)c1ccccc1
Isomeric Smiles
O1C(c2ccccc2)C(C(=O)c2ccccc12)(C(c1ccccc1)Br)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.630916
LogD (pH = 7.4)
6.630916
Log P
6.630916
Molar Refractivity
109.2941
Polarizability
42.190643
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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