Molecule

ID:23509

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)15-6-9-17(10-7-15)24-13-19(23)22-18-11-8-16(21)12-14(18)2/h6-12H,5,13,21H2,1-4H3,(H,22,23)
InChIKey
TVIMTIYODGBDLM-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(cc1)OCC(=O)Nc1ccc(cc1C)N)(C)C
Isomeric Smiles
N(c1c(cc(N)cc1)C)C(=O)COc1ccc(C(CC)(C)C)cc1
Calculated Properties
JChem
Acid pKa
12.797557
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.3867884
LogD (pH = 7.4)
4.401784
Log P
4.40198
Molar Refractivity
99.8916
Polarizability
37.518288
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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