Molecule ID: mol17613

SMILES: O=C(c1ccc2cc(OCCCN3CCCCC3)ccc2c1)N1CCC(CO)CC1

InChI: InChI=1S/C25H34N2O3/c28-19-20-9-14-27(15-10-20)25(29)23-6-5-22-18-24(8-7-21(22)17-23)30-16-4-13-26-11-2-1-3-12-26/h5-8,17-18,20,28H,1-4,9-16,19H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization