COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK782879
Chemical Name: methyl3-acetyl-1-chloro-2-hydroxy-6,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate
Smiles: COC(=O)C1(Cl)C(=C(C(=O)C)C(=O)CC1(C)C)O

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Molecular Weight: 274.7
Empirical Formula: C12H15ClO5

Physical State: Dry powder
Available Amount: 67 mg

Lipinsky:
logP: 1.818
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 80
Number of rings: 1

     

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