COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL387793
Chemical Name: methyl(2E,4E)-4-acetyl-5-hydroxyhexa-2,4-dienoate
Smiles: COC(=O)/C=C/C(=C(\O)/C)/C(=O)C

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Molecular Weight: 184.19
Empirical Formula: C9H12O4

Physical State: Dry powder
Available Amount: 120 mg

Lipinsky:
logP: 0.339
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 63
Number of rings: 0

     

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