Molecule

ID:23498

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₆N₂O₂
Molecular Mass
326.43264
Exact Mass
326.19942808
Charge
0
InChI
InChI=1S/C20H26N2O2/c1-5-20(3,4)15-9-11-16(12-10-15)24-13-19(23)22-18-8-6-7-17(21)14(18)2/h6-12H,5,13,21H2,1-4H3,(H,22,23)
InChIKey
DRLFDCRWQWYTTB-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(cc1)OCC(=O)Nc1cccc(c1C)N)(C)C
Isomeric Smiles
c1(c(NC(=O)COc2ccc(C(CC)(C)C)cc2)cccc1N)C
Calculated Properties
JChem
Acid pKa
12.602015
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.394137
LogD (pH = 7.4)
4.401878
Log P
4.40198
Molar Refractivity
99.8916
Polarizability
37.519405
Polar Surface Area
64.35
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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