3-{[2-(4-chlorophenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-yl]amino}propan-1-ol
Chemical Structure Depiction of
3-{[2-(4-chlorophenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-yl]amino}propan-1-ol
3-{[2-(4-chlorophenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-yl]amino}propan-1-ol
Compound characteristics
| Compound ID: | C301-0579 |
| Compound Name: | 3-{[2-(4-chlorophenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-yl]amino}propan-1-ol |
| Molecular Weight: | 313.7 |
| Molecular Formula: | C11 H12 Cl N5 O4 |
| Smiles: | C(CNc1c(nn(c2ccc(cc2)[Cl])[n+]1[O-])[N+]([O-])=O)CO |
| Stereo: | ACHIRAL |
| logP: | 1.3556 |
| logD: | 1.3556 |
| logSw: | -2.2845 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.174 |
| InChI Key: | RFVAMDACFNPPTI-UHFFFAOYSA-N |