Molecule

ID:128869

General Information
Structure
MolImage
Molecular Formula
C₂₃H₁₅N₃O
Molecular Mass
349.3847
Exact Mass
349.12151212
Charge
0
InChI
InChI=1S/C23H15N3O/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19/h1-14,16H
InChIKey
PRMWGUBFXWROHD-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccccc1c1cc(cn(c1=O)c1ccccc1)c1ccccn1
Isomeric Smiles
N#Cc1ccccc1c1cc(c2ncccc2)cn(c1=O)c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
4.11
LogD (pH = 5.5)
4.09
Log P
4.11
Rotatable Bonds
3
H Donor
0
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
4.01
Polar Surface Area
56.99
Polarizability
38.02
Molar Refractivity
104.74
LOG S
-5.73
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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