4-(2-ethyl-6-methylanilino)-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-(2-ethyl-6-methylanilino)-4-oxobut-2-enoic acid
4-(2-ethyl-6-methylanilino)-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | K784-3113 |
| Compound Name: | 4-(2-ethyl-6-methylanilino)-4-oxobut-2-enoic acid |
| Molecular Weight: | 233.26 |
| Molecular Formula: | C13 H15 N O3 |
| Smiles: | CCc1cccc(C)c1NC(/C=C/C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3933 |
| logD: | -2.0651 |
| logSw: | -2.5587 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.376 |
| InChI Key: | MCIJUUJSHVBIPT-BQYQJAHWSA-N |