4-(3-cyanoanilino)-4-oxobutanoic acid
Chemical Structure Depiction of
4-(3-cyanoanilino)-4-oxobutanoic acid
4-(3-cyanoanilino)-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 2166-0020 |
| Compound Name: | 4-(3-cyanoanilino)-4-oxobutanoic acid |
| Molecular Weight: | 218.21 |
| Molecular Formula: | C11 H10 N2 O3 |
| Smiles: | C(CC(Nc1cccc(C#N)c1)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6505 |
| logD: | -2.2989 |
| logSw: | -1.92 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.828 |
| InChI Key: | HPTIFFLVYOBDQB-UHFFFAOYSA-N |