(3-methyl-4-nitro-1H-pyrazole-5-sulfinyl)acetic acid
Chemical Structure Depiction of
(3-methyl-4-nitro-1H-pyrazole-5-sulfinyl)acetic acid
(3-methyl-4-nitro-1H-pyrazole-5-sulfinyl)acetic acid
Compound characteristics
| Compound ID: | Y503-2308 |
| Compound Name: | (3-methyl-4-nitro-1H-pyrazole-5-sulfinyl)acetic acid |
| Molecular Weight: | 233.2 |
| Molecular Formula: | C6 H7 N3 O5 S |
| Smiles: | Cc1c(c([nH]n1)S(CC(O)=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -0.6832 |
| logD: | -3.7472 |
| logSw: | -1.2399 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.698 |
| InChI Key: | UIAMEDDPJXRTDS-UHFFFAOYSA-N |