2-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid
Chemical Structure Depiction of
2-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid
2-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid
Compound characteristics
| Compound ID: | K783-4730 |
| Compound Name: | 2-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid |
| Molecular Weight: | 235.24 |
| Molecular Formula: | C12 H13 N O4 |
| Smiles: | CCC(C(O)=O)N1C(COc2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.722 |
| logD: | -3.286 |
| logSw: | -1.4449 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.673 |
| InChI Key: | NKHFPPQOFJMSST-QMMMGPOBSA-N |