COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK769589
Chemical Name: methyl3-(acetyloxy)-4,6-dinitro-1-benzothiophene-2-carboxylate
Smiles: COC(=O)c1sc2c(c1OC(=O)C)c(cc(c2)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 340.27
Empirical Formula: C12H8N2O8S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.955
Rotatable bonds: 4
H-donors: 0
H-acceptors: 8
PSA: 172
Number of rings: 2

     

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