Molecule

ID:118486

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O₄
Molecular Mass
290.31442
Exact Mass
290.12665707
Charge
0
InChI
InChI=1S/C15H18N2O4/c18-14-9-11(15(19)20)10-17(14)13-3-1-12(2-4-13)16-5-7-21-8-6-16/h1-4,11H,5-10H2,(H,19,20)
InChIKey
HZPPGKDTWHMTJU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CC(=O)N(C1)c1ccc(cc1)N1CCOCC1
Isomeric Smiles
N1(C(=O)CC(C1)C(=O)O)c1ccc(N2CCOCC2)cc1
Calculated Properties
JChem
Acid pKa
3.9309416
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.0077237
LogD (pH = 7.4)
-2.6282215
Log P
0.5702206
Molar Refractivity
76.5212
Polarizability
29.042896
Polar Surface Area
70.08
Rotatable Bonds
3
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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