Molecule ID: mol36160

SMILES: O=C(O)CN(CCSCCSCCN(CC(=O)O)CC(=O)O)CC(=O)O

InChI: InChI=1S/C14H24N2O8S2/c17-11(18)7-15(8-12(19)20)1-3-25-5-6-26-4-2-16(9-13(21)22)10-14(23)24/h1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
1.90 QSARToolbox 2 » 1
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Charge States and Microspecies Visualization