4-oxo-4-[2-(phenylethynyl)anilino]but-2-enoic acid
Chemical Structure Depiction of
4-oxo-4-[2-(phenylethynyl)anilino]but-2-enoic acid
4-oxo-4-[2-(phenylethynyl)anilino]but-2-enoic acid
Compound characteristics
| Compound ID: | 8006-2632 |
| Compound Name: | 4-oxo-4-[2-(phenylethynyl)anilino]but-2-enoic acid |
| Molecular Weight: | 291.3 |
| Molecular Formula: | C18 H13 N O3 |
| Smiles: | C(=C\C(Nc1ccccc1C#Cc1ccccc1)=O)\C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9401 |
| logD: | -0.5183 |
| logSw: | -4.0107 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.802 |
| InChI Key: | HHHFPVVMOBYDSB-UHFFFAOYSA-N |