Molecule

ID:54084

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃F₃N₂O
Molecular Mass
294.2717296
Exact Mass
294.09799771
Charge
0
InChI
InChI=1S/C15H13F3N2O/c1-20(2)14-8-12(15(16,17)18)7-13(19-14)11-5-3-4-10(6-11)9-21/h3-9H,1-2H3
InChIKey
QMZHNNFJQYTASK-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)c1nc(cc(c1)C(F)(F)F)N(C)C
Isomeric Smiles
c1c(nc(cc1C(F)(F)F)N(C)C)c1cc(ccc1)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.7667422
LogD (pH = 7.4)
4.075653
Log P
4.0815015
Molar Refractivity
75.9651
Polarizability
28.067495
Polar Surface Area
33.2
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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