Molecule

ID:97666

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀F₃NO₂
Molecular Mass
269.2192096
Exact Mass
269.06636323
Charge
0
InChI
InChI=1S/C13H10F3NO2/c1-2-19-12(18)9-4-3-8-5-6-11(13(14,15)16)17-10(8)7-9/h3-7H,2H2,1H3
InChIKey
MYVVEXBDJHCQCN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc2c(c1)nc(cc2)C(F)(F)F
Isomeric Smiles
n1c(ccc2ccc(cc12)C(=O)OCC)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7548835
LogD (pH = 7.4)
3.7548842
Log P
3.7548842
Molar Refractivity
62.3549
Polarizability
24.261335
Polar Surface Area
39.19
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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