2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
Chemical Structure Depiction of
2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
Compound characteristics
| Compound ID: | Y042-3133 |
| Compound Name: | 2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid |
| Molecular Weight: | 203.19 |
| Molecular Formula: | C11 H9 N O3 |
| Smiles: | CN1C=C(C(O)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | -0.1931 |
| logD: | -4.7845 |
| logSw: | -2.0259 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.595 |
| InChI Key: | NQDGBUUSUPLGHH-UHFFFAOYSA-N |