COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK414075
Chemical Name: ethyl(2E)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoate
Smiles: [O-][N+](=O)c1cc(/C=C(/C(=O)OCC)\C#N)c(cc1)Cl

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Molecular Weight: 280.67
Empirical Formula: C12H9ClN2O4

Physical State: Dry powder
Available Amount: 160 mg

Lipinsky:
logP: 2.695
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 95
Number of rings: 1

     

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