COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK870186
Chemical Name: 5-(acetylamino)-2-[(E)-2-(4-nitro-2-sulfonatophenyl)ethenyl]benzenesulfonate
Smiles: CC(=O)Nc1ccc(c(c1)S(=O)(=O)[O-])/C=C/c1ccc(cc1S(=O)(=O)[O-])[N+](=O)[O-]

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Saltdata: 2C5H5NH+
Molecular Weight: 440.41
Empirical Formula: C16H12N2O9S2

Available Amount: 0 mg

Lipinsky:
logP: 0.233
Rotatable bonds: 2
H-donors: 1
H-acceptors: 9
PSA: 206
Number of rings: 2

     

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