Molecule

ID:40556

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁F₃N₂O₂
Molecular Mass
284.2338496
Exact Mass
284.07726226
Charge
0
InChI
InChI=1S/C13H11F3N2O2/c1-8-3-5-9(6-4-8)20-12-10(7-19)11(13(14,15)16)17-18(12)2/h3-7H,1-2H3
InChIKey
AFDGWMUCPUIPMS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(Oc2ccc(cc2)C)n(nc1C(F)(F)F)C
Isomeric Smiles
n1n(c(c(c1C(F)(F)F)C=O)Oc1ccc(cc1)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4803064
LogD (pH = 7.4)
3.4803066
Log P
3.4803066
Molar Refractivity
77.6824
Polarizability
24.117712
Polar Surface Area
44.12
Rotatable Bonds
4
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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