Molecule ID: mol20432

SMILES: NC1=Nc2cc(CCCNCc3cccc(Cl)c3)ccc2[C@H]2CCC[C@@H]12

InChI: InChI=1S/C22H26ClN3/c23-17-6-1-4-16(12-17)14-25-11-3-5-15-9-10-19-18-7-2-8-20(18)22(24)26-21(19)13-15/h1,4,6,9-10,12-13,18,20,25H,2-3,5,7-8,11,14H2,(H2,24,26)/t18-,20-/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization