Molecule

ID:47680

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(8-12(13)18)14(15,16)17/h2-3,8,10H,4-7,9,18H2,1H3
InChIKey
QBOPKEYZHMBKDA-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccc(cc1N)C(F)(F)F)CC1CCOCC1
Isomeric Smiles
C(c1cc(c(N(CC2CCOCC2)C)cc1)N)(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.4734182
LogD (pH = 7.4)
2.5509157
Log P
2.551999
Molar Refractivity
74.4542
Polarizability
26.547775
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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