COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK016522
Chemical Name: 4-[(1E)-2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl]phenyl4-nitrobenzoate
Smiles: CCOC(=O)/C(=C/c1ccc(cc1)OC(=O)c1ccc(cc1)[N+](=O)[O-])/C#N

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Molecular Weight: 366.33
Empirical Formula: C19H14N2O6

Physical State: Dry powder
Available Amount: 125 mg

Lipinsky:
logP: 3.692
Rotatable bonds: 4
H-donors: 0
H-acceptors: 6
PSA: 122
Number of rings: 2

     

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