[(2-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetic acid
Chemical Structure Depiction of
[(2-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetic acid
[(2-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetic acid
Compound characteristics
| Compound ID: | 5555-0004 |
| Compound Name: | [(2-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetic acid |
| Molecular Weight: | 217.2 |
| Molecular Formula: | C6 H7 N3 O4 S |
| Smiles: | Cc1nc(c([nH]1)SCC(O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.0346 |
| logD: | -3.2791 |
| logSw: | -1.4171 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.271 |
| InChI Key: | ODNCFZQUNCXZEA-UHFFFAOYSA-N |