3-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoic acid
Chemical Structure Depiction of
3-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoic acid
3-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoic acid
Compound characteristics
| Compound ID: | 1582-0010 |
| Compound Name: | 3-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoic acid |
| Molecular Weight: | 300.23 |
| Molecular Formula: | C13 H8 N4 O5 |
| Smiles: | c1cc(cc(c1)Nc1ccc2c(c1[N+]([O-])=O)non2)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2816 |
| logD: | 0.9873 |
| logSw: | -4.5067 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.731 |
| InChI Key: | TWWAXCDHNOXHEL-UHFFFAOYSA-N |