Molecule ID: mol7476

SMILES: Cc1cc(NCCC(C)C)nc(C)n1

InChI: InChI=1S/C11H19N3/c1-8(2)5-6-12-11-7-9(3)13-10(4)14-11/h7-8H,5-6H2,1-4H3,(H,12,13,14)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.73 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization