4-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)benzoic acid
Chemical Structure Depiction of
4-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)benzoic acid
4-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)benzoic acid
Compound characteristics
| Compound ID: | D045-0013 |
| Compound Name: | 4-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)benzoic acid |
| Molecular Weight: | 285.26 |
| Molecular Formula: | C14 H11 N3 O4 |
| Smiles: | c1ccc2c(c1)NC(N(c1ccc(cc1)C(O)=O)N2O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1116 |
| logD: | -0.2836 |
| logSw: | -2.8596 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.023 |
| InChI Key: | XVSLRZVGWJIZPF-UHFFFAOYSA-N |