4-(3,4-dichloroanilino)-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-(3,4-dichloroanilino)-4-oxobut-2-enoic acid
4-(3,4-dichloroanilino)-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | K784-3110 |
| Compound Name: | 4-(3,4-dichloroanilino)-4-oxobut-2-enoic acid |
| Molecular Weight: | 260.07 |
| Molecular Formula: | C10 H7 Cl2 N O3 |
| Smiles: | C(=C/C(Nc1ccc(c(c1)[Cl])[Cl])=O)\C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0083 |
| logD: | -1.4501 |
| logSw: | -3.0938 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.772 |
| InChI Key: | YMYKNYVBUCMJOG-UHFFFAOYSA-N |