COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL032425
Chemical Name: 2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylicacid
Smiles: O=C1CC(C)(C)Cc2c1c(C(=O)O)c(o2)C

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Molecular Weight: 222.24
Empirical Formula: C12H14O4

Physical State: Dry powder
Available Amount: 1022 mg

Lipinsky:
logP: 2.372
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 67
Number of rings: 2

     

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