Molecule

ID:22870

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₆N₂O₃
Molecular Mass
342.43204
Exact Mass
342.1943427
Charge
0
InChI
InChI=1S/C20H26N2O3/c1-3-4-5-6-13-25-17-10-7-15(8-11-17)20(23)22-18-14-16(21)9-12-19(18)24-2/h7-12,14H,3-6,13,21H2,1-2H3,(H,22,23)
InChIKey
SMMDKAJMQOGJAX-UHFFFAOYSA-N
Canonic Smiles
CCCCCCOc1ccc(cc1)C(=O)Nc1cc(N)ccc1OC
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1OC)c1ccc(cc1)OCCCCCC
Calculated Properties
JChem
Acid pKa
12.22985
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
4.0902944
LogD (pH = 7.4)
4.133314
Log P
4.1338983
Molar Refractivity
102.2939
Polarizability
38.317875
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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