COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK757579
Chemical Name: (1E)-4-hydroxy-4-methyl-1-(3-nitrophenyl)pent-1-en-3-one
Smiles: O=C(C(O)(C)C)/C=C/c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 235.24
Empirical Formula: C12H13NO4

Physical State: Dry powder
Available Amount: 69 mg

Lipinsky:
logP: 2.112
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 83
Number of rings: 1

     

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