COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL009828
Chemical Name: (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one
Smiles: CC(=O)/C=C/C1=C(C)CCCC1(C)C

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Molecular Weight: 192.3
Empirical Formula: C13H20O

Physical State: Dry powder
Available Amount: 1000 mg

Lipinsky:
logP: 3.853
Rotatable bonds: 2
H-donors: 0
H-acceptors: 1
PSA: 17
Number of rings: 1

     

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