Molecule

ID:14549

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O₄
Molecular Mass
280.3196
Exact Mass
280.14230713
Charge
0
InChI
InChI=1S/C14H20N2O4/c15-12(17)9-5-7-16(8-6-9)13(18)10-3-1-2-4-11(10)14(19)20/h1-2,9-11H,3-8H2,(H2,15,17)(H,19,20)
InChIKey
WNVISWNODRFHSP-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CC=CCC1C(=O)O)N1CCC(CC1)C(=O)N
Isomeric Smiles
C1(C(CC=CC1)C(=O)O)C(=O)N1CCC(CC1)C(=O)N
Calculated Properties
JChem
Acid pKa
4.254489
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.6097355
LogD (pH = 7.4)
-3.338119
Log P
-0.34244308
Molar Refractivity
73.0221
Polarizability
27.827957
Polar Surface Area
100.7
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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