| Phytochemical Name : 2,2'-Pyridylisatogen tosylate |
| PCNDIDOT0482 |
| Pubchem CID : 124333 |
| Molecular formula: C20H16N2O5S |
| Canonical SMILES : CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)C(=O)C(=[N+]2[O-])C3=CC=CC=N3 |
Synonymes : 2,2'-Pyridylisatogen tosylate|56583-49-4|PIT|2-(2-pyridinyl)-(3h)-indol-3-one-1-oxide 4-methylbenzenesulfonate|4-methylbenzenesulfonic acid;1-oxido-2-pyridin-2-ylindol-1-ium-3-one|Tocris-1682|D04DBR|GTPL1729|CHEMBL1364808|C13H8N2O2.C7H8O3S|HMS3268O03|HMS3412B14|HMS3676B14|EX-A7082|4-methylbenzenesulfonic acid; 1-oxido-2-pyridin-2-ylindol-1-ium-3-one|AKOS024456745|NCGC00025378-01|MS-26676|HY-108662|C13-H8-N2-O2.C7-H8-O3-S|CS-0029423|SR-01000597767|SR-01000597767-1|Q27071697 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.950 |
| Log Po/w (XLOGP3) : 2.370 |
| Log Po/w (WLOGP) : 3.850 |
| Log Po/w (MLOGP) : 1.750 |
| Log Po/w (SILICOS-IT) : 1.330 |
| Consensus Log Po/w : 2.250 |