Molecule ID: mol7435

SMILES: CCOC(=O)c1cnc(C)nc1OCC

InChI: InChI=1S/C10H14N2O3/c1-4-14-9-8(10(13)15-5-2)6-11-7(3)12-9/h6H,4-5H2,1-3H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.50 OCHEM 1 » 0
2.70 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization