Molecule ID: mol11301

SMILES: ON=C(C(=NO)c1ccco1)c1ccco1

InChI: InChI=1S/C10H8N2O4/c13-11-9(7-3-1-5-15-7)10(12-14)8-4-2-6-16-8/h1-6,13-14H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.84 IUPAC digitized pKa 0 » -1
9.86 IUPAC digitized pKa 0 » -1
11.25 IUPAC digitized pKa -1 » -2
11.53 IUPAC digitized pKa -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization