COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK381464
Chemical Name: N,N-dimethyl-N-[2-oxo-2-(prop-2-yn-1-yloxy)ethyl]hexa-1,5-dien-3-aminium
Smiles: C=CCC([N+](CC(=O)OCC#C)(C)C)C=C

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Saltdata: Cl-
Molecular Weight: 222.31
Empirical Formula: C13H20NO2

Physical State: Liquid
Available Amount: 382 mg

Lipinsky:
logP: -1.856
Rotatable bonds: 8
H-donors: 0
H-acceptors: 2
PSA: 26
Number of rings: 0

     

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