COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK918299
Chemical Name: 3-[(1E)-2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl]phenyl4-chloro-3-nitrobenzoate
Smiles: CCOC(=O)/C(=C/c1cccc(c1)OC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl)/C#N

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Molecular Weight: 400.77
Empirical Formula: C19H13ClN2O6

Available Amount: 0 mg

Lipinsky:
logP: 4.198
Rotatable bonds: 7
H-donors: 0
H-acceptors: 6
PSA: 122
Number of rings: 2

     

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