COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK839575
Chemical Name: 5,5-dimethyl-2-{[(2-nitrophenyl)amino]methylidene}cyclohexane-1,3-dione
Smiles: O=C1CC(C)(C)CC(=O)C1=CNc1ccccc1[N+](=O)[O-]

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Molecular Weight: 288.3
Empirical Formula: C15H16N2O4

Physical State: Dry powder
Available Amount: 259 mg

Lipinsky:
logP: 1.862
Rotatable bonds: 0
H-donors: 1
H-acceptors: 4
PSA: 91
Number of rings: 2

     

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