Molecule

ID:96101

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃F₃N₂O
Molecular Mass
294.2717296
Exact Mass
294.09799771
Charge
0
InChI
InChI=1S/C15H13F3N2O/c1-2-20(11-6-4-3-5-7-11)14(21)12-10-19-9-8-13(12)15(16,17)18/h3-10H,2H2,1H3
InChIKey
MIJGJOSKJIWOFK-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)c1cnccc1C(F)(F)F)c1ccccc1
Isomeric Smiles
N(c1ccccc1)(C(=O)c1c(ccnc1)C(F)(F)F)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9439795
LogD (pH = 7.4)
2.946153
Log P
2.9461806
Molar Refractivity
73.2728
Polarizability
26.786686
Polar Surface Area
33.2
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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