Molecule

ID:36398

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₃N₃O₃
Molecular Mass
353.41492
Exact Mass
353.17394161
Charge
0
InChI
InChI=1S/C20H23N3O3/c24-19(15-23(16-20(25)26)18-9-5-2-6-10-18)22-13-11-21(12-14-22)17-7-3-1-4-8-17/h1-10H,11-16H2,(H,25,26)
InChIKey
GDJWWLQOZMZELX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN(c1ccccc1)CC(=O)N1CCN(CC1)c1ccccc1
Isomeric Smiles
C(=O)(N1CCN(CC1)c1ccccc1)CN(CC(=O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.380221
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
1.1481284
LogD (pH = 7.4)
-0.5745416
Log P
2.088435
Molar Refractivity
100.82
Polarizability
37.930317
Polar Surface Area
64.09
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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