4-(2,3-dihydro-1H-indol-1-yl)-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-(2,3-dihydro-1H-indol-1-yl)-4-oxobut-2-enoic acid
4-(2,3-dihydro-1H-indol-1-yl)-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | K783-4180 |
| Compound Name: | 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobut-2-enoic acid |
| Molecular Weight: | 217.22 |
| Molecular Formula: | C12 H11 N O3 |
| Smiles: | C1CN(C(\C=C/C(O)=O)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 1.4421 |
| logD: | -2.8154 |
| logSw: | -1.633 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.045 |
| InChI Key: | XCYGCNJVPDEBPR-UHFFFAOYSA-N |