COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK837871
Chemical Name: 7,7-dinitro-2-phenyl-2,5,6,7-tetrahydro-4H-benzotriazol-4-one
Smiles: O=C1CCC(c2c1nn(n2)c1ccccc1)([N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 303.23
Empirical Formula: C12H9N5O5

Physical State: Dry powder
Available Amount: 313 mg

Lipinsky:
logP: 2.865
Rotatable bonds: 0
H-donors: 0
H-acceptors: 5
PSA: 139
Number of rings: 3

     

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