COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL010917
Chemical Name: methyl2-methyl-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate
Smiles: CCCCCC1CC(=O)C=C(C1C(=O)OC)C

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Molecular Weight: 238.33
Empirical Formula: C14H22O3

Physical State: Dry powder
Available Amount: 1000 mg

Lipinsky:
logP: 3.259
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 43
Number of rings: 1

     

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