4-(3-chloroanilino)-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-(3-chloroanilino)-4-oxobut-2-enoic acid
4-(3-chloroanilino)-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | K783-3483 |
| Compound Name: | 4-(3-chloroanilino)-4-oxobut-2-enoic acid |
| Molecular Weight: | 225.63 |
| Molecular Formula: | C10 H8 Cl N O3 |
| Smiles: | C(=C\C(Nc1cccc(c1)[Cl])=O)\C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2876 |
| logD: | -2.1708 |
| logSw: | -3.0087 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.772 |
| InChI Key: | VGCOUGYIWJRLKT-UHFFFAOYSA-N |