COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL372789
Chemical Name: (1E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hepta-1,6-dien-3-one
Smiles: C=CCCC(=O)/C=C/C1C(=CCCC1(C)C)C

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Molecular Weight: 232.37
Empirical Formula: C16H24O

Physical State: Dry powder
Available Amount: 1000 mg

Lipinsky:
logP: 5.138
Rotatable bonds: 5
H-donors: 0
H-acceptors: 1
PSA: 17
Number of rings: 1

     

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