Molecule ID: mol19431

SMILES: Cc1nc2c3c(c(C(=O)NCCO)cn2c1C)CCC(c1ccccc1)C3

InChI: InChI=1S/C22H25N3O2/c1-14-15(2)25-13-20(22(27)23-10-11-26)18-9-8-17(12-19(18)21(25)24-14)16-6-4-3-5-7-16/h3-7,13,17,26H,8-12H2,1-2H3,(H,23,27)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization