COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL059232
Chemical Name: 3-[(1Z,3Z)-4-carboxy-3-methylbuta-1,3-dien-1-yl]-1-methylpyridinium
Smiles: OC(=O)/C=C(\C=C/c1ccc[n+](c1)C)/C

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Saltdata: I-
Molecular Weight: 204.25
Empirical Formula: C12H14NO2

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: -3.05
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 41
Number of rings: 1

     

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