Molecule ID: mol8604

SMILES: CNCc1c(CO)cnc(C)c1O

InChI: InChI=1S/C9H14N2O2/c1-6-9(13)8(4-10-2)7(5-12)3-11-6/h3,10,12-13H,4-5H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.95 IUPAC digitized pKa 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization