Molecule

ID:111956

General Information
Structure
MolImage
Molecular Formula
C₂₆H₂₂N₂O₂
Molecular Mass
394.46508
Exact Mass
394.16812795
Charge
0
InChI
InChI=1S/C26H22N2O2/c29-25(21-12-5-2-6-13-21)28-24(17-19-9-3-1-4-10-19)26(30)27-23-16-15-20-11-7-8-14-22(20)18-23/h1-16,18,24H,17H2,(H,27,30)(H,28,29)
InChIKey
UYXGHMPRWWMUID-UHFFFAOYSA-N
Canonic Smiles
O=C(C(NC(=O)c1ccccc1)Cc1ccccc1)Nc1ccc2c(c1)cccc2
Isomeric Smiles
O=C(Nc1cc2ccccc2cc1)C(Cc1ccccc1)NC(=O)c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
5.17
LogD (pH = 5.5)
5.17
Log P
5.17
Rotatable Bonds
6
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
false
Acid pKa
13.14
Polar Surface Area
58.20
Polarizability
43.83
Molar Refractivity
119.96
LOG S
-7.41
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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