Molecule

ID:74051

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₀N₂O₂
Molecular Mass
320.385
Exact Mass
320.15247789
Charge
0
InChI
InChI=1S/C20H20N2O2/c1-3-24-20(23)18-13-19(15-7-5-4-6-8-15)22(14(18)2)17-11-9-16(21)10-12-17/h4-13H,3,21H2,1-2H3
InChIKey
YVPACEHKDFRAEV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(n(c1C)c1ccc(cc1)N)c1ccccc1
Isomeric Smiles
n1(c2ccc(cc2)N)c(cc(c1C)C(=O)OCC)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.6030211
LogD (pH = 7.4)
3.7299166
Log P
3.7318
Molar Refractivity
107.4481
Polarizability
38.482918
Polar Surface Area
57.25
Rotatable Bonds
5
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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