COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK128808
Chemical Name: 2-(3,4-dimethoxyphenyl)-N-(3-nitrobenzyl)ethanamine
Smiles: COc1cc(CCNCc2cccc(c2)[N+](=O)[O-])ccc1OC

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Saltdata: C2H2O4
Molecular Weight: 316.36
Empirical Formula: C17H20N2O4

Physical State: Dry powder
Available Amount: 91 mg

Lipinsky:
logP: 3.043
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 76
Number of rings: 2

     

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