Molecule ID: mol19311

SMILES: CCc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(CO)c(C)[nH]c12

InChI: InChI=1S/C22H28N4O2/c1-6-15-9-7-8-13(2)16(15)11-23-18-10-19(22(28)26(4)5)25-20-17(12-27)14(3)24-21(18)20/h7-10,24,27H,6,11-12H2,1-5H3,(H,23,25)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization