COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK726876
Chemical Name: butyl(9Z)-2,5,7-trinitro-9-(5-phenyl-3H-1,2-dithiol-3-ylidene)-9H-fluorene-4-carboxylate
Smiles: CCCCOC(=O)c1cc(cc2c1c1c(/C/2=C/2\SSC(=C2)c2ccccc2)cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 577.6
Empirical Formula: C27H19N3O8S2

Physical State: Dry powder
Available Amount: 115 mg

Lipinsky:
logP: 11.634
Rotatable bonds: 5
H-donors: 0
H-acceptors: 8
PSA: 214
Number of rings: 5

     

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