Molecule ID: mol20158

SMILES: COc1ccc2ncc(=O)n(CCN3CC[C@@H](NCc4cc5c(cn4)OCCO5)[C@@H](O)C3)c2c1

InChI: InChI=1S/C24H29N5O5/c1-32-17-2-3-18-20(11-17)29(24(31)14-27-18)7-6-28-5-4-19(21(30)15-28)26-12-16-10-22-23(13-25-16)34-9-8-33-22/h2-3,10-11,13-14,19,21,26,30H,4-9,12,15H2,1H3/t19-,21+/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization