Molecule ID: mol21262

SMILES: CN1C(=O)[C@H](NC(=O)Nc2ccc3c(c2)N(c2nn[nH]n2)CC3)N=C(c2ccccc2)c2ccccc21

InChI: InChI=1S/C26H23N9O2/c1-34-20-10-6-5-9-19(20)22(17-7-3-2-4-8-17)28-23(24(34)36)29-26(37)27-18-12-11-16-13-14-35(21(16)15-18)25-30-32-33-31-25/h2-12,15,23H,13-14H2,1H3,(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
4.80 OCHEM 0 » -1
4.80 Baltruschat ChEMBL 0 » -1
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Charge States and Microspecies Visualization