COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK774303
Chemical Name: 3,4,4-trichloro-1-(3,5-dimethyl-1H-pyrazol-1-yl)but-3-en-1-one
Smiles: O=C(n1nc(cc1C)C)CC(=C(Cl)Cl)Cl

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Molecular Weight: 267.54
Empirical Formula: C9H9Cl3N2O

Physical State: Dry powder
Available Amount: 70 mg

Lipinsky:
logP: 5.164
Rotatable bonds: 2
H-donors: 0
H-acceptors: 1
PSA: 34
Number of rings: 1

     

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