1-oxo-2-(propan-2-yl)-1,2-dihydroisoquinoline-4-carboxylic acid
Chemical Structure Depiction of
1-oxo-2-(propan-2-yl)-1,2-dihydroisoquinoline-4-carboxylic acid
1-oxo-2-(propan-2-yl)-1,2-dihydroisoquinoline-4-carboxylic acid
Compound characteristics
| Compound ID: | Y041-3923 |
| Compound Name: | 1-oxo-2-(propan-2-yl)-1,2-dihydroisoquinoline-4-carboxylic acid |
| Molecular Weight: | 231.25 |
| Molecular Formula: | C13 H13 N O3 |
| Smiles: | CC(C)N1C=C(C(O)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 0.7412 |
| logD: | -3.8502 |
| logSw: | -1.9313 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.766 |
| InChI Key: | DOZLWQFNBMOKCY-UHFFFAOYSA-N |