COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK897876
Chemical Name: 5,5-dimethyl-3-[(3-nitrophenyl)amino]cyclohex-2-en-1-one
Smiles: O=C1C=C(Nc2cccc(c2)[N+](=O)[O-])CC(C1)(C)C

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Molecular Weight: 260.29
Empirical Formula: C14H16N2O3

Physical State: Dry powder
Available Amount: 154 mg

Lipinsky:
logP: 2.97
Rotatable bonds: 0
H-donors: 1
H-acceptors: 3
PSA: 74
Number of rings: 2

     

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