COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL199240
Chemical Name: 3-(3-nitrobenzylidene)pentane-2,4-dione
Smiles: CC(=O)C(=Cc1cccc(c1)[N+](=O)[O-])C(=O)C

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Molecular Weight: 233.22
Empirical Formula: C12H11NO4

Physical State: Dry powder
Available Amount: 19 mg

Lipinsky:
logP: 1.576
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 79
Number of rings: 1

     

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