Molecule

ID:19731

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉F₃N₂O
Molecular Mass
288.3086696
Exact Mass
288.1449479
Charge
0
InChI
InChI=1S/C14H19F3N2O/c15-14(16,17)11-4-5-13(12(18)10-11)20-9-8-19-6-2-1-3-7-19/h4-5,10H,1-3,6-9,18H2
InChIKey
ISMXKPYXDIADDZ-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(ccc1OCCN1CCCCC1)C(F)(F)F
Isomeric Smiles
C(c1cc(c(cc1)OCCN1CCCCC1)N)(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.28632092
LogD (pH = 7.4)
1.4226032
Log P
2.7335076
Molar Refractivity
73.3564
Polarizability
26.890732
Polar Surface Area
38.49
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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