p-nitrophenyl nicotinate
- CAS:
- Other names: PNPN
- SMILES: [O-][N+](=O)c1ccc(OC(=O)c2cccnc2)cc1
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 244.20 | 4 | 0 | 2.73 | 85.01 | 4 | 85 | 0.00 | C12H8N2O4 |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| JN_62 | None | Jan. 1, 2023 |
Bar codes
| Plate barcode | Sample barcode |
|---|---|
PAINS
| Identified PAINS |
|---|
| Not checked |
Supramolecules
| Name | log K | SD | pH | T(°C) | Method | Ref |
|---|---|---|---|---|---|---|
| [a-Cyclodextrin](1).[p-nitrophenyl nicotinate] | 1.95 | 9.5 | 25.0 | NMR spectroscopy | Paolo Scrimin 1997 | |
| [b-Cyclodextrin](1).[p-nitrophenyl nicotinate] | 2.23 | 9.5 | 25.0 | NMR spectroscopy | Paolo Scrimin 1997 | |