Molecule ID: mol18967

SMILES: N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCC[C@H](N)C(=O)Nc1ccc(C#Cc2c(F)c(F)nc(F)c2F)cc1

InChI: InChI=1S/C30H28F4N6O2/c31-25-21(26(32)28(34)40-27(25)33)13-10-17-8-11-19(12-9-17)39-30(42)22(35)6-3-4-14-37-29(41)23(36)15-18-16-38-24-7-2-1-5-20(18)24/h1-2,5,7-9,11-12,16,22-23,38H,3-4,6,14-15,35-36H2,(H,37,41)(H,39,42)/t22-,23-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.30 Baltruschat ChEMBL 2 » 1
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Charge States and Microspecies Visualization