COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK726867
Chemical Name: butyl(9E)-9-(2-hydroxybenzylidene)-2,5,7-trinitro-9H-fluorene-4-carboxylate
Smiles: CCCCOC(=O)c1cc(cc2c1c1c(/C/2=C/c2ccccc2O)cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 505.44
Empirical Formula: C25H19N3O9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 10.751
Rotatable bonds: 7
H-donors: 1
H-acceptors: 9
PSA: 183
Number of rings: 4

     

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