3-[2-nitro-5-(pyrrolidin-1-yl)anilino]propyl methanesulfonate
Chemical Structure Depiction of
3-[2-nitro-5-(pyrrolidin-1-yl)anilino]propyl methanesulfonate
3-[2-nitro-5-(pyrrolidin-1-yl)anilino]propyl methanesulfonate
Compound characteristics
| Compound ID: | 8011-2077 |
| Compound Name: | 3-[2-nitro-5-(pyrrolidin-1-yl)anilino]propyl methanesulfonate |
| Molecular Weight: | 343.4 |
| Molecular Formula: | C14 H21 N3 O5 S |
| Smiles: | CS(=O)(=O)OCCCNc1cc(ccc1[N+]([O-])=O)N1CCCC1 |
| Stereo: | ACHIRAL |
| logP: | 2.3115 |
| logD: | 2.3115 |
| logSw: | -2.8936 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.182 |
| InChI Key: | XBOXFYHLCFIHED-UHFFFAOYSA-N |