Molecule ID: mol38222

SMILES: Nc1cccc2c1nnn2[C@H]1C[C@H](O)[C@@H](CO)O1

InChI: InChI=1S/C11H14N4O3/c12-6-2-1-3-7-11(6)13-14-15(7)10-4-8(17)9(5-16)18-10/h1-3,8-10,16-17H,4-5,12H2/t8-,9+,10+/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization