Molecule ID: mol29801

SMILES: CCCCNC1CCC(C(=O)OCCN(CC)CC)CC1

InChI: InChI=1S/C17H34N2O2/c1-4-7-12-18-16-10-8-15(9-11-16)17(20)21-14-13-19(5-2)6-3/h15-16,18H,4-14H2,1-3H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.49 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization