Molecule ID: mol17866

SMILES: O=[N+]([O-])c1ccc(Nc2nc(NCCO)nc(NCCO)n2)cc1

InChI: InChI=1S/C13H17N7O4/c21-7-5-14-11-17-12(15-6-8-22)19-13(18-11)16-9-1-3-10(4-2-9)20(23)24/h1-4,21-22H,5-8H2,(H3,14,15,16,17,18,19)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.86 Baltruschat ChEMBL 2 » 1
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Charge States and Microspecies Visualization