Molecule

ID:13860

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₂N₂O₂
Molecular Mass
322.40088
Exact Mass
322.16812795
Charge
0
InChI
InChI=1S/C20H22N2O2/c1-20(2)13-15-10-6-7-11-16(15)18(22-20)21-17(19(23)24)12-14-8-4-3-5-9-14/h3-11,17H,12-13H2,1-2H3,(H,21,22)(H,23,24)
InChIKey
SKZOZLFDNIMQMW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(NC1=NC(C)(C)Cc2c1cccc2)Cc1ccccc1
Isomeric Smiles
c12C(=NC(Cc1cccc2)(C)C)NC(Cc1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.0421174
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.189668
LogD (pH = 7.4)
2.1612806
Log P
2.18968
Molar Refractivity
94.551
Polarizability
36.208843
Polar Surface Area
61.69
Rotatable Bonds
4
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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