Molecule

ID:58896

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₀N₂O₃
Molecular Mass
324.3737
Exact Mass
324.14739251
Charge
0
InChI
InChI=1S/C19H20N2O3/c1-2-24-18(22)14-7-9-16(10-8-14)20-19(23)21-17-11-6-13-4-3-5-15(13)12-17/h6-12H,2-5H2,1H3,(H2,20,21,23)
InChIKey
OYMZUMNATVNKDA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(cc1)NC(=O)Nc1ccc2c(c1)CCC2
Isomeric Smiles
C(=O)(Nc1cc2c(cc1)CCC2)Nc1ccc(C(=O)OCC)cc1
Calculated Properties
JChem
Acid pKa
11.243029
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
4.4866247
LogD (pH = 7.4)
4.4865665
Log P
4.4866257
Molar Refractivity
95.7079
Polarizability
34.9827
Polar Surface Area
67.43
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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