Molecule

ID:20199

General Information
Structure
Molecular Formula
C₁₅H₁₄F₃NO₂
Molecular Mass
297.2723696
Exact Mass
297.09766335
Charge
0
InChI
InChI=1S/C15H14F3NO2/c1-2-20-13-5-3-4-6-14(13)21-12-8-7-10(19)9-11(12)15(16,17)18/h3-9H,2,19H2,1H3
InChIKey
IOCPTIMUVRISND-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccccc1Oc1ccc(cc1C(F)(F)F)N
Isomeric Smiles
c1(C(F)(F)F)c(Oc2c(OCC)cccc2)ccc(c1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.718308
LogD (pH = 7.4)
3.7215507
Log P
3.7215922
Molar Refractivity
74.1847
Polarizability
27.215984
Polar Surface Area
44.48
Rotatable Bonds
5
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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