Molecule ID: mol25412

SMILES: COC(=O)Cn1cnc(C)c1C

InChI: InChI=1S/C8H12N2O2/c1-6-7(2)10(5-9-6)4-8(11)12-3/h5H,4H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization