COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL004178
Chemical Name: 3-methyl-4-(4-nitro-1H-pyrazol-1-yl)butan-2-one
Smiles: CC(=O)C(Cn1ncc(c1)[N+](=O)[O-])C

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Molecular Weight: 197.19
Empirical Formula: C8H11N3O3

Physical State: Dry powder
Available Amount: 1300 mg

Lipinsky:
logP: 0.722
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 80
Number of rings: 1

     

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