Molecule ID: mol4752

SMILES: CC(=O)N1CCN(C(C)=O)c2c(C)ncnc21

InChI: InChI=1S/C11H14N4O2/c1-7-10-11(13-6-12-7)15(9(3)17)5-4-14(10)8(2)16/h6H,4-5H2,1-3H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.12 IUPAC digitized pKa 1 » 0
2.15 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization