COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK588910
Chemical Name: 2-carboxy-5-{[(1E)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-yl]ammonio}phenolate
Smiles: Fc1ccc(cc1)C(=O)/C=C/[NH2+]c1ccc(c(c1)[O-])C(=O)O

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Molecular Weight: 301.27
Empirical Formula: C16H12FNO4

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 3.793
Rotatable bonds: 3
H-donors: 3
H-acceptors: 4
PSA: 94
Number of rings: 2

     

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