Molecule ID: mol17838

SMILES: CCc1cc(N2CC[C@@H](NC)C2)ncn1

InChI: InChI=1S/C11H18N4/c1-3-9-6-11(14-8-13-9)15-5-4-10(7-15)12-2/h6,8,10,12H,3-5,7H2,1-2H3/t10-/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.90 OCHEM 2 » 1
5.90 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization