Molecule

ID:22170

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇F₃N₂O₄
Molecular Mass
346.3016896
Exact Mass
346.11404169
Charge
0
InChI
InChI=1S/C15H17F3N2O4/c1-2-24-14(21)10-5-7-19(8-6-10)12-4-3-11(15(16,17)18)9-13(12)20(22)23/h3-4,9-10H,2,5-8H2,1H3
InChIKey
UKCATMHMULAARY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
Isomeric Smiles
c1c(ccc(c1[N+](=O)[O-])N1CCC(CC1)C(=O)OCC)C(F)(F)F
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.4749055
LogD (pH = 7.4)
3.4749346
Log P
3.474935
Molar Refractivity
81.6846
Polarizability
29.428566
Polar Surface Area
75.36
Rotatable Bonds
6
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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