COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK378696
Chemical Name: methyl4-hydroxy-6-methyl-2-oxocyclohex-3-ene-1-carboxylate
Smiles: COC(=O)C1C(C)CC(=CC1=O)O

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Molecular Weight: 184.19
Empirical Formula: C9H12O4

Physical State: Dry powder
Available Amount: 3171 mg

Lipinsky:
logP: 0.602
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 63
Number of rings: 1

     

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