Molecule ID: mol21260

SMILES: CN1C(=O)[C@H](NC(=O)Nc2cccc(Nc3nn[nH]n3)c2)N=C(c2ccccc2)c2ccccc21

InChI: InChI=1S/C24H21N9O2/c1-33-19-13-6-5-12-18(19)20(15-8-3-2-4-9-15)27-21(22(33)34)28-24(35)26-17-11-7-10-16(14-17)25-23-29-31-32-30-23/h2-14,21H,1H3,(H2,26,28,35)(H2,25,29,30,31,32)/t21-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization