Molecule

ID:22782

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₂N₂O₃
Molecular Mass
362.42168
Exact Mass
362.16304257
Charge
0
InChI
InChI=1S/C22H22N2O3/c1-16-7-10-18(23)15-21(16)24-22(25)17-8-11-20(12-9-17)27-14-13-26-19-5-3-2-4-6-19/h2-12,15H,13-14,23H2,1H3,(H,24,25)
InChIKey
XCNZZHNTGYWWGK-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)NC(=O)c1ccc(cc1)OCCOc1ccccc1)C
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1C)c1ccc(cc1)OCCOc1ccccc1
Calculated Properties
JChem
Acid pKa
13.168645
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
4.214776
LogD (pH = 7.4)
4.2357297
Log P
4.2360044
Molar Refractivity
108.3485
Polarizability
40.473343
Polar Surface Area
73.58
Rotatable Bonds
7
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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