Molecule

ID:54295

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀F₃NO₄
Molecular Mass
289.2073096
Exact Mass
289.05619247
Charge
0
InChI
InChI=1S/C12H10F3NO4/c13-12(14,15)20-9-4-2-1-3-8(9)16-6-7(11(18)19)5-10(16)17/h1-4,7H,5-6H2,(H,18,19)
InChIKey
RVOPSZJREVIITI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CC(=O)N(C1)c1ccccc1OC(F)(F)F
Isomeric Smiles
N1(C(=O)CC(C1)C(=O)O)c1c(OC(F)(F)F)cccc1
Calculated Properties
JChem
Acid pKa
3.8067768
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.41613832
LogD (pH = 7.4)
-1.1474684
Log P
2.1117887
Molar Refractivity
56.0884
Polarizability
22.679913
Polar Surface Area
66.84
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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