1-hydroxy-2-(4-nitrophenyl)-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
Chemical Structure Depiction of
1-hydroxy-2-(4-nitrophenyl)-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
1-hydroxy-2-(4-nitrophenyl)-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
Compound characteristics
| Compound ID: | 3214-0028 |
| Compound Name: | 1-hydroxy-2-(4-nitrophenyl)-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one |
| Molecular Weight: | 286.24 |
| Molecular Formula: | C13 H10 N4 O4 |
| Smiles: | c1ccc2c(c1)NC(N(c1ccc(cc1)[N+]([O-])=O)N2O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1891 |
| logD: | 2.0736 |
| logSw: | -2.7659 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.996 |
| InChI Key: | IJWASBJAOHWAQQ-UHFFFAOYSA-N |