COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL372951
Chemical Name: (3E)-5-methylhex-3-en-2-one
Smiles: CC(/C=C/C(=O)C)C

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Molecular Weight: 112.17
Empirical Formula: C7H12O

Physical State: Dry powder
Available Amount: 1000 mg

Lipinsky:
logP: 1.441
Rotatable bonds: 2
H-donors: 0
H-acceptors: 1
PSA: 17
Number of rings: 0

     

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