COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL367476
Chemical Name: (1E)-4-methyl-1-(3-nitrophenyl)pent-1-en-3-one
Smiles: O=C(C(C)C)/C=C/c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 219.24
Empirical Formula: C12H13NO3

Physical State: Dry powder
Available Amount: 1700 mg

Lipinsky:
logP: 2.952
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 62
Number of rings: 1

     

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