4-(3,4-dihydroquinolin-1(2H)-yl)-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-(3,4-dihydroquinolin-1(2H)-yl)-4-oxobut-2-enoic acid
4-(3,4-dihydroquinolin-1(2H)-yl)-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | 0644-0032 |
| Compound Name: | 4-(3,4-dihydroquinolin-1(2H)-yl)-4-oxobut-2-enoic acid |
| Molecular Weight: | 231.25 |
| Molecular Formula: | C13 H13 N O3 |
| Smiles: | C1Cc2ccccc2N(C1)C(/C=C/C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8089 |
| logD: | -2.4485 |
| logSw: | -1.9482 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.679 |
| InChI Key: | CBGATFOXQAAEQZ-UHFFFAOYSA-N |