COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK362033
Chemical Name: 4-[(1E)-2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl]benzoicacid
Smiles: CCOC(=O)/C(=C/c1ccc(cc1)C(=O)O)/C#N

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Molecular Weight: 245.23
Empirical Formula: C13H11NO4

Physical State: Dry powder
Available Amount: 246 mg

Lipinsky:
logP: 1.84
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 87
Number of rings: 1

     

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