[(1-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetic acid
Chemical Structure Depiction of
[(1-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetic acid
[(1-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetic acid
Compound characteristics
| Compound ID: | Y507-1024 |
| Compound Name: | [(1-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetic acid |
| Molecular Weight: | 217.2 |
| Molecular Formula: | C6 H7 N3 O4 S |
| Smiles: | Cn1cc(c(n1)SCC(O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -0.1335 |
| logD: | -3.4471 |
| logSw: | -1.0947 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.419 |
| InChI Key: | KKOGVWJVSNEINW-UHFFFAOYSA-N |