COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK530270
Chemical Name: 2-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)butanedioicacid
Smiles: OC(=O)CC(C1=C(O)CC(CC1=O)(C)C)C(=O)O

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Molecular Weight: 256.26
Empirical Formula: C12H16O6

Physical State: Dry powder
Available Amount: 319 mg

Lipinsky:
logP: 1.483
Rotatable bonds: 7
H-donors: 3
H-acceptors: 6
PSA: 111
Number of rings: 1

     

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