Molecule ID: mol18042

SMILES: CCCCCCn1cc(CCCN[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)nn1

InChI: InChI=1S/C17H32N4O5/c1-2-3-4-5-9-21-10-11(19-20-21)7-6-8-18-12-13(22)15(24)17(26)16(25)14(12)23/h10,12-18,22-26H,2-9H2,1H3/t12-,13-,14+,15+,16-,17-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization