COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL059210
Chemical Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N,N,N-trimethyl-2-oxoethanaminium
Smiles: O=C(c1ccc2c(c1)OCCCO2)C[N+](C)(C)C

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Saltdata: I-
Molecular Weight: 250.32
Empirical Formula: C14H20NO3

Physical State: Dry powder
Available Amount: 105 mg

Lipinsky:
logP: -0.935
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 35
Number of rings: 2

     

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