Molecule ID: mol7473

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

InChI: InChI=1S/C10H17N3/c1-7(2)6-11-10-5-8(3)12-9(4)13-10/h5,7H,6H2,1-4H3,(H,11,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization