Molecule ID: mol26139

SMILES: CCN(CC)CCNc1ccnc2cc(C)ccc12

InChI: InChI=1S/C16H23N3/c1-4-19(5-2)11-10-18-15-8-9-17-16-12-13(3)6-7-14(15)16/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,18)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.12 AttenGpKa training set 2 » 1
9.51 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization