COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL434068
Chemical Name: 1-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-2-nitroethanone
Smiles: COc1c(cc(c2c1OCO2)OC)C(=O)C[N+](=O)[O-]

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Molecular Weight: 269.21
Empirical Formula: C11H11NO7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.038
Rotatable bonds: 4
H-donors: 0
H-acceptors: 7
PSA: 99
Number of rings: 2

     

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