4-hydroxy-3-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)benzoic acid
Chemical Structure Depiction of
4-hydroxy-3-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)benzoic acid
4-hydroxy-3-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)benzoic acid
Compound characteristics
| Compound ID: | D045-0024 |
| Compound Name: | 4-hydroxy-3-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)benzoic acid |
| Molecular Weight: | 301.26 |
| Molecular Formula: | C14 H11 N3 O5 |
| Smiles: | c1ccc2c(c1)NC(N(c1cc(ccc1O)C(O)=O)N2O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0461 |
| logD: | 0.5256 |
| logSw: | -2.6963 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 93.27 |
| InChI Key: | MLWXMBUSYSRCCT-UHFFFAOYSA-N |