Molecule

ID:42578

General Information
Structure
MolImage
Molecular Formula
C₂₄H₁₉N₃
Molecular Mass
349.42776
Exact Mass
349.15789762
Charge
0
InChI
InChI=1S/C24H19N3/c25-16-21-22(19-12-6-2-7-13-19)23(20-14-8-3-9-15-20)27(24(21)26)17-18-10-4-1-5-11-18/h1-15H,17,26H2
InChIKey
GXIMOGHICAZEKA-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(c2ccccc2)c(n(c1N)Cc1ccccc1)c1ccccc1
Isomeric Smiles
c1(c(n(c(c1c1ccccc1)c1ccccc1)Cc1ccccc1)N)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.332187
LogD (pH = 7.4)
5.332192
Log P
5.3321924
Molar Refractivity
110.1513
Polarizability
44.494213
Polar Surface Area
54.74
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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