COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK005925
Chemical Name: 1-({2-[2-(4-tert-butylphenyl)ethyl]-1,3-dioxolan-4-yl}methyl)-1-methylpyrrolidinium
Smiles: C[N+]1(CCCC1)CC1COC(O1)CCc1ccc(cc1)C(C)(C)C

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Saltdata: I-
Molecular Weight: 332.51
Empirical Formula: C21H34NO2

Physical State: Liquid
Available Amount: 50 mg

Lipinsky:
logP: 1.077
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 18
Number of rings: 3

     

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