Molecule

ID:93791

General Information
Structure
MolImage
Molecular Formula
C₈H₅Br₂FO
Molecular Mass
295.9311032
Exact Mass
293.869117
Charge
0
InChI
InChI=1S/C8H5Br2FO/c9-8(10)7(12)5-1-3-6(11)4-2-5/h1-4,8H
InChIKey
XFFGHBAVJPOWDG-UHFFFAOYSA-N
Canonic Smiles
BrC(C(=O)c1ccc(cc1)F)Br
Isomeric Smiles
Fc1ccc(cc1)C(=O)C(Br)Br
Calculated Properties
JChem
Acid pKa
14.857195
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4753504
LogD (pH = 7.4)
2.4753504
Log P
2.4753504
Molar Refractivity
52.2862
Polarizability
19.706701
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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