Molecule ID: mol36318

SMILES: O=C(O)[C@@H](NCCN[C@H](C(=O)O)c1ccccc1O)c1ccccc1O

InChI: InChI=1S/C18H20N2O6/c21-13-7-3-1-5-11(13)15(17(23)24)19-9-10-20-16(18(25)26)12-6-2-4-8-14(12)22/h1-8,15-16,19-22H,9-10H2,(H,23,24)(H,25,26)/t15-,16-/m0/s1

Experimental Macro pKa Values

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