Molecule

ID:70968

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀BrFO
Molecular Mass
293.1310032
Exact Mass
291.98990516
Charge
0
InChI
InChI=1S/C14H10BrFO/c15-13(10-4-2-1-3-5-10)14(17)11-6-8-12(16)9-7-11/h1-9,13H
InChIKey
DYTDDALWSRMTDA-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(=O)C(c1ccccc1)Br
Isomeric Smiles
C(=O)(C(c1ccccc1)Br)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
14.220181
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.332864
LogD (pH = 7.4)
4.332864
Log P
4.332864
Molar Refractivity
68.7718
Polarizability
26.008007
Polar Surface Area
17.07
Rotatable Bonds
3
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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