COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK096469
Chemical Name: 2-methoxyethyl(2E)-2-cyano-3-(4-hydroxy-3-nitrophenyl)prop-2-enoate
Smiles: COCCOC(=O)/C(=C/c1ccc(c(c1)[N+](=O)[O-])O)/C#N

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Molecular Weight: 292.25
Empirical Formula: C13H12N2O6

Physical State: Dry powder
Available Amount: 542 mg

Lipinsky:
logP: 1.386
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 125
Number of rings: 1

     

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