Molecule ID: mol11987

SMILES: CC(=O)NCC(=O)NCC(=O)NCC(=O)NC(Cc1c[nH]cn1)C(=O)O

InChI: InChI=1S/C14H20N6O6/c1-8(21)16-4-11(22)17-5-12(23)18-6-13(24)20-10(14(25)26)2-9-3-15-7-19-9/h3,7,10H,2,4-6H2,1H3,(H,15,19)(H,16,21)(H,17,22)(H,18,23)(H,20,24)(H,25,26)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.16 IUPAC digitized pKa 1 » 0
7.21 IUPAC digitized pKa 0 » -1
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Charge States and Microspecies Visualization