COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK870221
Chemical Name: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitrobenzoate
Smiles: OCCN1CCN(CC1)c1ccc(cc1C(=O)[O-])[N+](=O)[O-]

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Saltdata: NH4+
Molecular Weight: 294.29
Empirical Formula: C13H16N3O5

Physical State: Dry powder
Available Amount: 3 mg

Lipinsky:
logP: 1.859
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 112
Number of rings: 2

     

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