Molecule ID: mol18026

SMILES: Cc1nc2c3c(ccn2c1CC#N)CCC(c1ccccc1)O3

InChI: InChI=1S/C19H17N3O/c1-13-16(9-11-20)22-12-10-15-7-8-17(14-5-3-2-4-6-14)23-18(15)19(22)21-13/h2-6,10,12,17H,7-9H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization