1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
Chemical Structure Depiction of
1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
Compound characteristics
| Compound ID: | Y042-3132 |
| Compound Name: | 1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid |
| Molecular Weight: | 189.17 |
| Molecular Formula: | C10 H7 N O3 |
| Smiles: | C1=C(C(O)=O)c2ccccc2C(N1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2124 |
| logD: | -4.8719 |
| logSw: | -2.0633 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.141 |
| InChI Key: | IMEDZEDITFIMAK-UHFFFAOYSA-N |