Molecule ID: mol35492

SMILES: Cc1cc2ncn([C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c2cc1C

InChI: InChI=1S/C14H18N2O4/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(19)12(18)11(17)5-20-14/h3-4,6,11-14,17-19H,5H2,1-2H3/t11-,12-,13+,14+/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization