2-acetamido-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
Chemical Structure Depiction of
2-acetamido-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
2-acetamido-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
Compound characteristics
| Compound ID: | C066-0861 |
| Compound Name: | 2-acetamido-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid |
| Molecular Weight: | 246.22 |
| Molecular Formula: | C12 H10 N2 O4 |
| Smiles: | CC(NN1C=C(C(O)=O)c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.7169 |
| logD: | -5.2966 |
| logSw: | -2.046 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.64 |
| InChI Key: | BBBXAOBHBREJRN-UHFFFAOYSA-N |