COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL028837
Chemical Name: 1-methyl-4-[(1E)-3-oxobut-1-en-1-yl]pyridinium
Smiles: CC(=O)/C=C/c1cc[n+](cc1)C

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Saltdata: I-
Molecular Weight: 162.21
Empirical Formula: C10H12NO

Physical State: Dry powder
Available Amount: 1011 mg

Lipinsky:
logP: -3.636
Rotatable bonds: 1
H-donors: 0
H-acceptors: 1
PSA: 20
Number of rings: 1

     

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