Molecule ID: mol7994

SMILES: CCOC1CNc2c([N+](=O)[O-])c(=O)nc(N)n21

InChI: InChI=1S/C8H11N5O4/c1-2-17-4-3-10-6-5(13(15)16)7(14)11-8(9)12(4)6/h4,10H,2-3H2,1H3,(H2,9,11,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization