COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL343913
Chemical Name: 2-(1,3-benzodioxol-5-yl)-N,N,N-trimethyl-2-oxoethanaminium
Smiles: O=C(c1ccc2c(c1)OCO2)C[N+](C)(C)C

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Saltdata: Br-
Molecular Weight: 222.26
Empirical Formula: C12H16NO3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: -2.001
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 35
Number of rings: 2

     

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