4-(3-chloro-2-methylanilino)-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-(3-chloro-2-methylanilino)-4-oxobut-2-enoic acid
4-(3-chloro-2-methylanilino)-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | 1823-0751 |
| Compound Name: | 4-(3-chloro-2-methylanilino)-4-oxobut-2-enoic acid |
| Molecular Weight: | 239.66 |
| Molecular Formula: | C11 H10 Cl N O3 |
| Smiles: | [H]C(=C([H])\C(Nc1cccc(c1C)[Cl])=O)\C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6399 |
| logD: | -1.8184 |
| logSw: | -2.9879 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.074 |
| InChI Key: | GGPZGIFCMBKQJS-WAYWQWQTSA-N |