Molecule

ID:99808

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈BrFO
Molecular Mass
267.0937232
Exact Mass
265.9742551
Charge
0
InChI
InChI=1S/C12H8BrFO/c13-9-2-1-3-12(8-9)15-11-6-4-10(14)5-7-11/h1-8H
InChIKey
ADGMRCLDJLCOKF-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)Oc1cccc(c1)Br
Isomeric Smiles
O(c1ccc(cc1)F)c1cc(ccc1)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.3849874
LogD (pH = 7.4)
4.3849874
Log P
4.3849874
Molar Refractivity
60.138
Polarizability
23.11947
Polar Surface Area
9.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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