Molecule ID: mol13883

SMILES: CCOC(=O)c1cnc(N(C)C)s1

InChI: InChI=1S/C8H12N2O2S/c1-4-12-7(11)6-5-9-8(13-6)10(2)3/h5H,4H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization