COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK683795
Chemical Name: 2,4,6-trinitrobenzenesulfonicacid
Smiles: [O-][N+](=O)c1cc(cc(c1S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-]

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Saltdata: 4H2O
Molecular Weight: 293.17
Empirical Formula: C6H3N3O9S

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 0.512
Rotatable bonds: 1
H-donors: 1
H-acceptors: 9
PSA: 200
Number of rings: 1

     

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