COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL434065
Chemical Name: 1-(7-methoxy-1,3-benzodioxol-5-yl)-2-nitroethanone
Smiles: COc1cc(cc2c1OCO2)C(=O)C[N+](=O)[O-]

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Molecular Weight: 239.18
Empirical Formula: C10H9NO6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.521
Rotatable bonds: 3
H-donors: 0
H-acceptors: 6
PSA: 90
Number of rings: 2

     

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