5-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)benzene-1,3-dicarboxylic acid
Chemical Structure Depiction of
5-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)benzene-1,3-dicarboxylic acid
5-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)benzene-1,3-dicarboxylic acid
Compound characteristics
| Compound ID: | D045-0017 |
| Compound Name: | 5-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)benzene-1,3-dicarboxylic acid |
| Molecular Weight: | 329.27 |
| Molecular Formula: | C15 H11 N3 O6 |
| Smiles: | c1ccc2c(c1)NC(N(c1cc(cc(c1)C(O)=O)C(O)=O)N2O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1203 |
| logD: | -0.7392 |
| logSw: | -2.8658 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 105.431 |
| InChI Key: | APTIAYFTDARDHN-UHFFFAOYSA-N |