Molecule

ID:13439

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₂O₄
Molecular Mass
292.3303
Exact Mass
292.14230713
Charge
0
InChI
InChI=1S/C15H20N2O4/c18-14(5-6-15(19)20)16-13-3-1-12(2-4-13)11-17-7-9-21-10-8-17/h1-4H,5-11H2,(H,16,18)(H,19,20)
InChIKey
WMWOCPDRYXLAHX-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(cc1)CN1CCOCC1)CCC(=O)O
Isomeric Smiles
c1c(ccc(c1)NC(=O)CCC(=O)O)CN1CCOCC1
Calculated Properties
JChem
Acid pKa
3.7592201
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.8396865
LogD (pH = 7.4)
-2.3274136
Log P
-1.8428289
Molar Refractivity
79.4315
Polarizability
30.129044
Polar Surface Area
78.87
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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