4-(4-cyanoanilino)-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-(4-cyanoanilino)-4-oxobut-2-enoic acid
4-(4-cyanoanilino)-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | 0519-0208 |
| Compound Name: | 4-(4-cyanoanilino)-4-oxobut-2-enoic acid |
| Molecular Weight: | 216.19 |
| Molecular Formula: | C11 H8 N2 O3 |
| Smiles: | C(=C/C(Nc1ccc(C#N)cc1)=O)\C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1884 |
| logD: | -3.2699 |
| logSw: | -1.7864 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.828 |
| InChI Key: | RPHFOECPERWGCT-UHFFFAOYSA-N |