Molecule

ID:22877

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₆N₂O₃
Molecular Mass
342.43204
Exact Mass
342.1943427
Charge
0
InChI
InChI=1S/C20H26N2O3/c1-3-4-5-8-13-25-18-10-7-6-9-16(18)20(23)22-17-14-15(21)11-12-19(17)24-2/h6-7,9-12,14H,3-5,8,13,21H2,1-2H3,(H,22,23)
InChIKey
JFMLOMIGFNEXEM-UHFFFAOYSA-N
Canonic Smiles
CCCCCCOc1ccccc1C(=O)Nc1cc(N)ccc1OC
Isomeric Smiles
C(=O)(c1c(OCCCCCC)cccc1)Nc1cc(N)ccc1OC
Calculated Properties
JChem
Acid pKa
11.632025
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
4.0877686
LogD (pH = 7.4)
4.1332583
Log P
4.1338983
Molar Refractivity
102.2939
Polarizability
38.320553
Polar Surface Area
73.58
Rotatable Bonds
9
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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