Molecule

ID:101389

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇F₃N₂O
Molecular Mass
274.2820896
Exact Mass
274.12929783
Charge
0
InChI
InChI=1S/C13H17F3N2O/c1-17-9-10-8-11(13(14,15)16)2-3-12(10)18-4-6-19-7-5-18/h2-3,8,17H,4-7,9H2,1H3
InChIKey
UAZNBBVDDCKGES-UHFFFAOYSA-N
Canonic Smiles
CNCc1cc(ccc1N1CCOCC1)C(F)(F)F
Isomeric Smiles
C(c1cc(c(N2CCOCC2)cc1)CNC)(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.817988
LogD (pH = 7.4)
0.4901328
Log P
2.2989864
Molar Refractivity
68.7828
Polarizability
25.082476
Polar Surface Area
24.5
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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