Molecule

ID:126458

General Information
Structure
MolImage
Molecular Formula
C₂₃H₁₆N₄O
Molecular Mass
364.39934
Exact Mass
364.13241115
Charge
0
InChI
InChI=1S/C23H16N4O/c24-16-17-8-7-11-19(14-17)23(28)25-22-15-21(18-9-3-1-4-10-18)26-27(22)20-12-5-2-6-13-20/h1-15H,(H,25,28)
InChIKey
BKUIZWILNWHFHD-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cccc(c1)C(=O)Nc1cc(nn1c1ccccc1)c1ccccc1
Isomeric Smiles
c1ccccc1n1nc(c2ccccc2)cc1NC(=O)c1cc(ccc1)C#N
Calculated Properties
JChem
Acid pKa
11.021114
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.12938
LogD (pH = 7.4)
5.129313
Log P
5.129412
Molar Refractivity
109.6923
Polarizability
42.8679
Polar Surface Area
70.71
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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