Molecule ID: mol21263

SMILES: Cc1ccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1N(C)c1nn[nH]n1

InChI: InChI=1S/C26H25N9O2/c1-16-13-14-18(15-21(16)35(3)25-30-32-33-31-25)27-26(37)29-23-24(36)34(2)20-12-8-7-11-19(20)22(28-23)17-9-5-4-6-10-17/h4-15,23H,1-3H3,(H2,27,29,37)(H,30,31,32,33)/t23-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.70 OCHEM 0 » -1
5.70 Baltruschat ChEMBL 0 » -1
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Charge States and Microspecies Visualization