Molecule

ID:94680

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉F₃N₂O
Molecular Mass
290.2399696
Exact Mass
290.06669758
Charge
0
InChI
InChI=1S/C15H9F3N2O/c16-15(17,18)14-20-19-13(21-14)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKey
VPLXDSPZOPBAEA-UHFFFAOYSA-N
Canonic Smiles
FC(c1nnc(o1)c1ccc(cc1)c1ccccc1)(F)F
Isomeric Smiles
o1c(nnc1c1ccc(cc1)c1ccccc1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8820746
LogD (pH = 7.4)
3.8820746
Log P
3.8820746
Molar Refractivity
82.6723
Polarizability
27.625725
Polar Surface Area
38.92
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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