Molecule ID: mol15370

SMILES: Cc1cc(NCCCN(C)C)c2c([N+](=O)[O-])cccc2n1

InChI: InChI=1S/C15H20N4O2/c1-11-10-13(16-8-5-9-18(2)3)15-12(17-11)6-4-7-14(15)19(20)21/h4,6-7,10H,5,8-9H2,1-3H3,(H,16,17)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.41 OCHEM 2 » 1
6.41 QSARToolbox 2 » 1
6.41 Datawarrior 2 » 1
6.41 OCHEM 2 » 1
6.41 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization