COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK674674
Chemical Name: 3,5-dinitro-2-[4-(4-nitrophenyl)piperazin-1-yl]benzoicacid
Smiles: OC(=O)c1cc(cc(c1N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

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Saltdata: CH3COOH
Molecular Weight: 417.33
Empirical Formula: C17H15N5O8

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.183
Rotatable bonds: 2
H-donors: 1
H-acceptors: 8
PSA: 181
Number of rings: 3

     

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