COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK897886
Chemical Name: 3-[(2-methyl-5-nitrophenyl)amino]cyclohex-2-en-1-one
Smiles: O=C1CCCC(=C1)Nc1cc(ccc1C)[N+](=O)[O-]

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Molecular Weight: 246.27
Empirical Formula: C13H14N2O3

Physical State: Dry powder
Available Amount: 420 mg

Lipinsky:
logP: 2.397
Rotatable bonds: 0
H-donors: 1
H-acceptors: 3
PSA: 74
Number of rings: 2

     

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