2-{[2-(4-chlorophenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-yl]amino}ethan-1-ol
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-yl]amino}ethan-1-ol
2-{[2-(4-chlorophenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-yl]amino}ethan-1-ol
Compound characteristics
| Compound ID: | C301-0861 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-yl]amino}ethan-1-ol |
| Molecular Weight: | 299.67 |
| Molecular Formula: | C10 H10 Cl N5 O4 |
| Smiles: | C(CO)Nc1c(nn(c2ccc(cc2)[Cl])[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.3712 |
| logD: | 1.3712 |
| logSw: | -2.2835 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.174 |
| InChI Key: | PHSJYMQOWFSPAZ-UHFFFAOYSA-N |