COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL139121
Chemical Name: 2-bromo-1-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
Smiles: BrCC(=O)c1cc2OCCOc2cc1[N+](=O)[O-]

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Molecular Weight: 302.08
Empirical Formula: C10H8BrNO5

Physical State: Dry powder
Available Amount: 234 mg

Lipinsky:
logP: 2.361
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 81
Number of rings: 2

     

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