3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoic acid
Chemical Structure Depiction of
3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoic acid
3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoic acid
Compound characteristics
| Compound ID: | Y041-3752 |
| Compound Name: | 3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoic acid |
| Molecular Weight: | 219.2 |
| Molecular Formula: | C10 H9 N3 O3 |
| Smiles: | C(CN1C(c2ccccc2N=N1)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2277 |
| logD: | -2.4679 |
| logSw: | -2.0411 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.566 |
| InChI Key: | AHKDQGZBLDBPNI-UHFFFAOYSA-N |