Molecule ID: mol25115

SMILES: CC1(C)OCCN1C(=O)c1cccnc1

InChI: InChI=1S/C11H14N2O2/c1-11(2)13(6-7-15-11)10(14)9-4-3-5-12-8-9/h3-5,8H,6-7H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization