Molecule ID: mol10652

SMILES: O=c1nc[nH]c2c1CCCC2

InChI: InChI=1S/C8H10N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h5H,1-4H2,(H,9,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization