Molecule

ID:43135

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅F₃N₂O₂
Molecular Mass
288.2656096
Exact Mass
288.10856239
Charge
0
InChI
InChI=1S/C13H15F3N2O2/c1-20-12(19)9-2-3-11(17-8-9)18-6-4-10(5-7-18)13(14,15)16/h2-3,8,10H,4-7H2,1H3
InChIKey
NUAMXLDIVTYWPJ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(nc1)N1CCC(CC1)C(F)(F)F
Isomeric Smiles
C1C(CCN(C1)c1ncc(cc1)C(=O)OC)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.834099
LogD (pH = 7.4)
2.8756728
Log P
2.8762312
Molar Refractivity
68.217
Polarizability
24.72028
Polar Surface Area
42.43
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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