COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK145916
Chemical Name: 2-(1,3-benzodioxol-5-yl)-N-(4-nitrobenzyl)ethanamine
Smiles: [O-][N+](=O)c1ccc(cc1)CNCCc1ccc2c(c1)OCO2

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Molecular Weight: 300.31
Empirical Formula: C16H16N2O4

Physical State: Dry powder
Available Amount: 218 mg

Lipinsky:
logP: 3.168
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 76
Number of rings: 3

     

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