Molecule ID: mol14728

SMILES: CN(C)CCCNc1ccnc2cc([N+](=O)[O-])ccc12

InChI: InChI=1S/C14H18N4O2/c1-17(2)9-3-7-15-13-6-8-16-14-10-11(18(19)20)4-5-12(13)14/h4-6,8,10H,3,7,9H2,1-2H3,(H,15,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization