Molecule ID: mol38204

SMILES: Cc1cc2nnn([C@H]3C[C@H](O)[C@@H](CO)O3)c2cc1C

InChI: InChI=1S/C13H17N3O3/c1-7-3-9-10(4-8(7)2)16(15-14-9)13-5-11(18)12(6-17)19-13/h3-4,11-13,17-18H,5-6H2,1-2H3/t11-,12+,13+/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
0.20 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization