Molecule ID: mol7535

SMILES: Oc1nc(O)c(CCN2CCOCC2)c(O)n1

InChI: InChI=1S/C10H15N3O4/c14-8-7(9(15)12-10(16)11-8)1-2-13-3-5-17-6-4-13/h1-6H2,(H3,11,12,14,15,16)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.37 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization