[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetic acid
Chemical Structure Depiction of
[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetic acid
[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetic acid
Compound characteristics
| Compound ID: | 8002-5557 |
| Compound Name: | [(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetic acid |
| Molecular Weight: | 217.2 |
| Molecular Formula: | C6 H7 N3 O4 S |
| Smiles: | Cn1cnc(c1SCC(O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -0.2596 |
| logD: | -3.5733 |
| logSw: | -1.2437 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.71 |
| InChI Key: | TUQQNQSADKYHNI-UHFFFAOYSA-N |