Molecule

ID:14057

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆N₂O₄
Molecular Mass
264.27714
Exact Mass
264.111007
Charge
0
InChI
InChI=1S/C13H16N2O4/c16-12(9-15-5-7-19-8-6-15)14-11-4-2-1-3-10(11)13(17)18/h1-4H,5-9H2,(H,14,16)(H,17,18)
InChIKey
DGNDLPLCHNEMFX-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccccc1C(=O)O)CN1CCOCC1
Isomeric Smiles
c1(c(NC(=O)CN2CCOCC2)cccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.3109512
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.8579576
LogD (pH = 7.4)
-2.159231
Log P
-0.4229731
Molar Refractivity
70.6807
Polarizability
26.442661
Polar Surface Area
78.87
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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