Molecule

ID:73360

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O₄
Molecular Mass
268.3089
Exact Mass
268.14230713
Charge
0
InChI
InChI=1S/C13H20N2O4/c1-11(13(17)15-4-8-19-9-5-15)10-12(16)14-2-6-18-7-3-14/h1-10H2
InChIKey
AYGNZRTYCXSCDZ-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCOCC1)CC(=C)C(=O)N1CCOCC1
Isomeric Smiles
N1(CCOCC1)C(=O)C(=C)CC(=O)N1CCOCC1
Calculated Properties
JChem
Acid pKa
17.902742
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-1.1034484
LogD (pH = 7.4)
-1.1033584
Log P
-1.1033572
Molar Refractivity
69.2951
Polarizability
26.849669
Polar Surface Area
59.08
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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