COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK397095
Chemical Name: ethyl(2Z)-2-(3-nitrobenzylidene)-3-oxobutanoate
Smiles: CCOC(=O)/C(=C\c1cccc(c1)[N+](=O)[O-])/C(=O)C

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Molecular Weight: 263.25
Empirical Formula: C13H13NO5

Physical State: Dry powder
Available Amount: 73 mg

Lipinsky:
logP: 2.111
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 89
Number of rings: 1

     

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