COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK377674
Chemical Name: 2-chloro-1-[1-(nitromethyl)-3,4-dihydroisoquinolin-2(1H)-yl]ethanone
Smiles: ClCC(=O)N1CCc2c(C1C[N+](=O)[O-])cccc2

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Molecular Weight: 268.7
Empirical Formula: C12H13ClN2O3

Physical State: Dry powder
Available Amount: 150 mg

Lipinsky:
logP: 1.735
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 66
Number of rings: 2

     

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