Molecule ID: mol30609

SMILES: C/N=C\c1c(CO)cnc(C)c1O

InChI: InChI=1S/C9H12N2O2/c1-6-9(13)8(4-10-2)7(5-12)3-11-6/h3-4,12-13H,5H2,1-2H3/b10-4-

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
10.50 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization