Molecule ID: mol35730

SMILES: O=C(NCCNC(=O)c1n[nH]c(C(=O)NCCNC(=O)OCc2ccccc2)n1)OCc1ccccc1

InChI: InChI=1S/C24H27N7O6/c32-21(25-11-13-27-23(34)36-15-17-7-3-1-4-8-17)19-29-20(31-30-19)22(33)26-12-14-28-24(35)37-16-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,25,32)(H,26,33)(H,27,34)(H,28,35)(H,29,30,31)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
1.69 QSARToolbox 1 » 0
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Charge States and Microspecies Visualization