Molecule

ID:118030

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅F₃N₂O
Molecular Mass
284.2769096
Exact Mass
284.11364777
Charge
0
InChI
InChI=1S/C14H15F3N2O/c1-9-7-11(8-18)10(2)19(9)12-3-5-13(6-4-12)20-14(15,16)17/h3-7H,8,18H2,1-2H3
InChIKey
ZILBOLIOSMKZFO-UHFFFAOYSA-N
Canonic Smiles
NCc1cc(n(c1C)c1ccc(cc1)OC(F)(F)F)C
Isomeric Smiles
n1(c(cc(c1C)CN)C)c1ccc(OC(F)(F)F)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.040820707
LogD (pH = 7.4)
1.2553538
Log P
3.3905
Molar Refractivity
77.6535
Polarizability
26.891035
Polar Surface Area
40.18
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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