COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK726866
Chemical Name: butyl(9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitro-9H-fluorene-4-carboxylate
Smiles: CCCCOC(=O)c1cc(cc2c1c1c(/C/2=C/c2ccco2)cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 479.4
Empirical Formula: C23H17N3O9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 10.355
Rotatable bonds: 6
H-donors: 0
H-acceptors: 9
PSA: 176
Number of rings: 4

     

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