Molecule ID: mol21549

SMILES: Cc1ccc(C(=O)NC(=N)NCCCCc2ccccc2)cc1

InChI: InChI=1S/C19H23N3O/c1-15-10-12-17(13-11-15)18(23)22-19(20)21-14-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,10-13H,5-6,9,14H2,1H3,(H3,20,21,22,23)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.09 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization