COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL334560
Chemical Name: 1-benzyl-5-phenyl-4-(trinitromethyl)-1H-1,2,3-triazole
Smiles: [O-][N+](=O)C(c1nnn(c1c1ccccc1)Cc1ccccc1)([N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 384.31
Empirical Formula: C16H12N6O6

Available Amount: 0 mg

Lipinsky:
logP: 7.203
Rotatable bonds: 1
H-donors: 0
H-acceptors: 6
PSA: 168
Number of rings: 3

     

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