COMPOUNDS FOR BIOLOGICAL SCREENING
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Vitas-M Lab ID: STK278485
Chemical Name: 3,3-dimethyl-1-(3-nitro-1H-1,2,4-triazol-1-yl)butan-2-one
Smiles: O=C(C(C)(C)C)Cn1cnc(n1)[N+](=O)[O-]

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Molecular Weight: 212.21
Empirical Formula: C8H12N4O3

Physical State: Dry powder
Available Amount: 147 mg

Lipinsky:
logP: 0.273
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 93
Number of rings: 1

     

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