Molecule ID: mol34760

SMILES: CC(C)c1c(N2CCCC2)cc(N2CCCC2)cc1N1CCCC1

InChI: InChI=1S/C21H33N3/c1-17(2)21-19(23-11-5-6-12-23)15-18(22-9-3-4-10-22)16-20(21)24-13-7-8-14-24/h15-17H,3-14H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.21 QSARToolbox 3 » 2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization