Molecule

ID:99097

General Information
Structure
MolImage
Molecular Formula
C₁₅H₈BrFO₂
Molecular Mass
319.1252232
Exact Mass
317.96916972
Charge
0
InChI
InChI=1S/C15H8BrFO2/c16-12-4-2-1-3-10(12)15-8-13(18)11-7-9(17)5-6-14(11)19-15/h1-8H
InChIKey
VHITWVCICYLLKF-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)c(=O)cc(o2)c1ccccc1Br
Isomeric Smiles
o1c(cc(=O)c2c1ccc(c2)F)c1ccccc1Br
Calculated Properties
JChem
Acid pKa
14.953133
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8788397
LogD (pH = 7.4)
3.8788397
Log P
3.8788397
Molar Refractivity
74.8104
Polarizability
27.759598
Polar Surface Area
26.3
Rotatable Bonds
1
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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