Molecule ID: mol36246

SMILES: CN(C)CCNC(=O)c1n[nH]c(C(=O)NCCN(C)C)n1

InChI: InChI=1S/C12H23N7O2/c1-18(2)7-5-13-11(20)9-15-10(17-16-9)12(21)14-6-8-19(3)4/h5-8H2,1-4H3,(H,13,20)(H,14,21)(H,15,16,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization