Molecule

ID:118043

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₂N₂O₃
Molecular Mass
290.35748
Exact Mass
290.16304257
Charge
0
InChI
InChI=1S/C16H22N2O3/c1-10-6-12(9-17)11(2)18(10)13-7-14(19-3)16(21-5)15(8-13)20-4/h6-8H,9,17H2,1-5H3
InChIKey
WPYHWVQRLWTGTB-UHFFFAOYSA-N
Canonic Smiles
NCc1cc(n(c1C)c1cc(OC)c(c(c1)OC)OC)C
Isomeric Smiles
n1(c(cc(c1C)CN)C)c1cc(c(c(c1)OC)OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.3997493
LogD (pH = 7.4)
-1.1851032
Log P
0.9499
Molar Refractivity
93.9728
Polarizability
32.754604
Polar Surface Area
58.64
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
No Data Available
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Molecule Details
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References
Bioactivity
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