Molecule

ID:96630

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁F₃N₂O₂
Molecular Mass
284.2338496
Exact Mass
284.07726226
Charge
0
InChI
InChI=1S/C13H11F3N2O2/c14-13(15,16)19-10-6-4-8(5-7-10)11-17-12(20-18-11)9-2-1-3-9/h4-7,9H,1-3H2
InChIKey
UFLGNFPHBAWESD-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1ccc(cc1)c1noc(n1)C1CCC1)(F)F
Isomeric Smiles
n1c(C2CCC2)onc1c1ccc(cc1)OC(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.0706267
LogD (pH = 7.4)
5.0706267
Log P
5.0706267
Molar Refractivity
71.5964
Polarizability
24.176958
Polar Surface Area
48.15
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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