COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL024088
Chemical Name: 1-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one
Smiles: CCCC(=O)c1cc2OCCOc2cc1[N+](=O)[O-]

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Molecular Weight: 251.24
Empirical Formula: C12H13NO5

Available Amount: 0 mg

Lipinsky:
logP: 2.898
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 81
Number of rings: 2

     

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