Molecule ID: mol19622

SMILES: O=C1NC2(CCCc3ccccc32)C(=O)N1CCCN1CCN(c2cccc(Cl)c2)CC1

InChI: InChI=1S/C25H29ClN4O2/c26-20-8-3-9-21(18-20)29-16-14-28(15-17-29)12-5-13-30-23(31)25(27-24(30)32)11-4-7-19-6-1-2-10-22(19)25/h1-3,6,8-10,18H,4-5,7,11-17H2,(H,27,32)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization