Molecule

ID:63705

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄F₃NO₂
Molecular Mass
285.2616696
Exact Mass
285.09766335
Charge
0
InChI
InChI=1S/C14H14F3NO2/c15-14(16,17)13(20)18-8-6-11(7-9-18)12(19)10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKey
UPPIHSRTATYQHY-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)C1CCN(CC1)C(=O)C(F)(F)F
Isomeric Smiles
c1cccc(C(=O)C2CCN(C(=O)C(F)(F)F)CC2)c1
Calculated Properties
JChem
Acid pKa
16.311758
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3767421
LogD (pH = 7.4)
2.3767421
Log P
2.3767421
Molar Refractivity
67.4685
Polarizability
24.93763
Polar Surface Area
37.38
Rotatable Bonds
3
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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