COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK535198
Chemical Name: 4,4,7,7-tetranitro-2-phenyl-4,5,6,7-tetrahydro-2H-benzotriazole
Smiles: [O-][N+](=O)C1(CCC(c2c1nn(n2)c1ccccc1)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 379.25
Empirical Formula: C12H9N7O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.791
Rotatable bonds: 0
H-donors: 0
H-acceptors: 8
PSA: 213
Number of rings: 3

     

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