Molecule ID: mol36171

SMILES: O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1

InChI: InChI=1S/C24H42N6O12/c31-19(32)13-25-1-2-26(14-20(33)34)5-6-28(16-22(37)38)9-10-30(18-24(41)42)12-11-29(17-23(39)40)8-7-27(4-3-25)15-21(35)36/h1-18H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.20 QSARToolbox 4 » 3
10.10 QSARToolbox -4 » -5
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization