COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL058853
Chemical Name: 2-[(1E)-3-oxobut-1-en-1-yl]quinolinium
Smiles: CC(=O)/C=C/c1ccc2c([nH+]1)cccc2

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Saltdata: Cl-
Molecular Weight: 198.24
Empirical Formula: C13H12NO

Physical State: Dry powder
Available Amount: 266 mg

Lipinsky:
logP: 2.038
Rotatable bonds: 2
H-donors: 1
H-acceptors: 1
PSA: 31
Number of rings: 2

     

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