Molecule

ID:14464

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂O₃
Molecular Mass
262.30432
Exact Mass
262.13174245
Charge
0
InChI
InChI=1S/C14H18N2O3/c1-2-15-7-9-16(10-8-15)13(17)11-5-3-4-6-12(11)14(18)19/h3-6H,2,7-10H2,1H3,(H,18,19)
InChIKey
LCWMPJVMVSBYHG-UHFFFAOYSA-N
Canonic Smiles
CCN1CCN(CC1)C(=O)c1ccccc1C(=O)O
Isomeric Smiles
c1(c(cccc1)C(=O)O)C(=O)N1CCN(CC1)CC
Calculated Properties
JChem
Acid pKa
3.5341852
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.5367374
LogD (pH = 7.4)
-1.8903443
Log P
-1.5391047
Molar Refractivity
72.9847
Polarizability
27.352306
Polar Surface Area
60.85
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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