COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK015761
Chemical Name: 1-(7,8-dinitro-2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one
Smiles: CCCC(=O)c1cc2OCCOc2c(c1[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 296.24
Empirical Formula: C12H12N2O7

Physical State: Dry powder
Available Amount: 47 mg

Lipinsky:
logP: 3.052
Rotatable bonds: 3
H-donors: 0
H-acceptors: 7
PSA: 127
Number of rings: 2

     

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