Molecule

ID:115862

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀F₃N₃O
Molecular Mass
269.2225096
Exact Mass
269.07759662
Charge
0
InChI
InChI=1S/C12H10F3N3O/c13-12(14,15)9-3-1-2-7(4-9)10-17-11(19-18-10)8-5-16-6-8/h1-4,8,16H,5-6H2
InChIKey
XFYNKPUNAJFBAL-UHFFFAOYSA-N
Canonic Smiles
FC(c1cccc(c1)c1noc(n1)C1CNC1)(F)F
Isomeric Smiles
n1c(noc1C1CNC1)c1cc(C(F)(F)F)ccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.47279602
LogD (pH = 7.4)
0.9844304
Log P
2.7029335
Molar Refractivity
73.4212
Polarizability
23.120113
Polar Surface Area
50.95
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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