Molecule

ID:96610

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀F₃N₃O₂
Molecular Mass
331.3334096
Exact Mass
331.15076156
Charge
0
InChI
InChI=1S/C15H20F3N3O2/c1-3-23-14(22)11(2)20-6-8-21(9-7-20)13-5-4-12(10-19-13)15(16,17)18/h4-5,10-11H,3,6-9H2,1-2H3
InChIKey
DTOUWJLITNREJT-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C
Isomeric Smiles
N1(c2ncc(cc2)C(F)(F)F)CCN(CC1)C(C(=O)OCC)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.3803856
LogD (pH = 7.4)
2.7261353
Log P
2.7324924
Molar Refractivity
80.7632
Polarizability
29.869696
Polar Surface Area
45.67
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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