Molecule

ID:61569

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₄N₂O₃
Molecular Mass
340.41616
Exact Mass
340.17869264
Charge
0
InChI
InChI=1S/C20H24N2O3/c23-19(25-15-17-7-3-1-4-8-17)22-13-11-20(24,12-14-22)16-21-18-9-5-2-6-10-18/h1-10,21,24H,11-16H2
InChIKey
JFFNFUMDVAEEDU-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(CC1)(O)CNc1ccccc1)OCc1ccccc1
Isomeric Smiles
C(=O)(N1CCC(CC1)(CNc1ccccc1)O)OCc1ccccc1
Calculated Properties
JChem
Acid pKa
14.323296
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.2577171
LogD (pH = 7.4)
2.276905
Log P
2.2771554
Molar Refractivity
98.3922
Polarizability
37.582367
Polar Surface Area
61.8
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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