Molecule

ID:47806

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉F₃N₂O
Molecular Mass
288.3086696
Exact Mass
288.1449479
Charge
0
InChI
InChI=1S/C14H19F3N2O/c1-19(9-10-4-6-20-7-5-10)13-3-2-11(18)8-12(13)14(15,16)17/h2-3,8,10H,4-7,9,18H2,1H3
InChIKey
MZEPTCGEQGYWJB-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C(F)(F)F)N(CC1CCOCC1)C
Isomeric Smiles
c1(C(F)(F)F)c(N(CC2CCOCC2)C)ccc(c1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.431133
LogD (pH = 7.4)
2.5502453
Log P
2.551999
Molar Refractivity
74.4542
Polarizability
26.547163
Polar Surface Area
38.49
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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