Molecule

ID:43516

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O₃
Molecular Mass
272.29914
Exact Mass
272.11609238
Charge
0
InChI
InChI=1S/C15H16N2O3/c1-3-19-14-12(15(18)20-4-2)10-16-13(17-14)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChIKey
QIJXPLJLCFRKSO-UHFFFAOYSA-N
Canonic Smiles
CCOc1nc(ncc1C(=O)OCC)c1ccccc1
Isomeric Smiles
n1c(c(C(=O)OCC)cnc1c1ccccc1)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.5833237
LogD (pH = 7.4)
3.58339
Log P
3.5833907
Molar Refractivity
86.4326
Polarizability
29.444845
Polar Surface Area
61.31
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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