COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK023586
Chemical Name: 3,3-dimethyl-N-(2-methyl-5-nitrophenyl)butanamide
Smiles: O=C(Nc1cc(ccc1C)[N+](=O)[O-])CC(C)(C)C

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Molecular Weight: 250.3
Empirical Formula: C13H18N2O3

Physical State: Dry powder
Available Amount: 85 mg

Lipinsky:
logP: 3.69
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 74
Number of rings: 1

     

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