COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043310
Chemical Name: (2Z)-3-chloro-N,N-dimethyl-N-[2-(octyloxy)-2-oxoethyl]but-2-en-1-aminium
Smiles: CCCCCCCCOC(=O)C[N+](C/C=C(\Cl)/C)(C)C

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Saltdata: Br-
Molecular Weight: 304.88
Empirical Formula: C16H31ClNO2

Physical State: Dry powder
Available Amount: 245 mg

Lipinsky:
logP: 2.486
Rotatable bonds: 12
H-donors: 0
H-acceptors: 2
PSA: 26
Number of rings: 0

     

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