4-(3-chloro-4-methylanilino)-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-(3-chloro-4-methylanilino)-4-oxobut-2-enoic acid
4-(3-chloro-4-methylanilino)-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | K783-3261 |
| Compound Name: | 4-(3-chloro-4-methylanilino)-4-oxobut-2-enoic acid |
| Molecular Weight: | 239.66 |
| Molecular Formula: | C11 H10 Cl N O3 |
| Smiles: | Cc1ccc(cc1[Cl])NC(\C=C/C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9242 |
| logD: | -1.5342 |
| logSw: | -3.0219 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.772 |
| InChI Key: | SNQFRXRWCMCJRX-UHFFFAOYSA-N |