COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL507724
Chemical Name: 3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one
Smiles: O=C(C(C)(C)C)Cn1ncnc1

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Molecular Weight: 167.21
Empirical Formula: C8H13N3O

Physical State: Dry powder
Available Amount: 193 mg

Lipinsky:
logP: 0.402
Rotatable bonds: 2
H-donors: 0
H-acceptors: 1
PSA: 47
Number of rings: 1

     

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