COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK962016
Chemical Name: (1,3-dimethyl-1H-pyrazol-4-yl)methyl3,5-dinitrobenzoate
Smiles: Cn1nc(c(c1)COC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])C

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Molecular Weight: 320.26
Empirical Formula: C13H12N4O6

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 1.561
Rotatable bonds: 3
H-donors: 0
H-acceptors: 6
PSA: 135
Number of rings: 2

     

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