COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK086155
Chemical Name: 2-{(1E)-1-[2-(2,4-dinitrophenyl)hydrazinylidene]ethyl}-5,5-dimethylcyclohexane-1,3-dione
Smiles: O=C1CC(C)(C)CC(=O)C1/C(=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/C

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Molecular Weight: 362.34
Empirical Formula: C16H18N4O6

Physical State: Dry powder
Available Amount: 12 mg

Lipinsky:
logP: 3.211
Rotatable bonds: 2
H-donors: 1
H-acceptors: 6
PSA: 150
Number of rings: 2

     

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