5-nitro-2-(4-oxo-1,4-dihydro-2H-3,1-benzoxazin-2-yl)benzoic acid
Chemical Structure Depiction of
5-nitro-2-(4-oxo-1,4-dihydro-2H-3,1-benzoxazin-2-yl)benzoic acid
5-nitro-2-(4-oxo-1,4-dihydro-2H-3,1-benzoxazin-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 8017-9893 |
| Compound Name: | 5-nitro-2-(4-oxo-1,4-dihydro-2H-3,1-benzoxazin-2-yl)benzoic acid |
| Molecular Weight: | 314.25 |
| Molecular Formula: | C15 H10 N2 O6 |
| Smiles: | c1ccc2c(c1)C(=O)OC(c1ccc(cc1C(O)=O)[N+]([O-])=O)N2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7883 |
| logD: | -2.099 |
| logSw: | -3.3381 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.663 |
| InChI Key: | BZRSFRGJWRPFEA-ZDUSSCGKSA-N |