(3-methyl-4-nitro-1H-pyrazole-5-sulfonyl)acetic acid
Chemical Structure Depiction of
(3-methyl-4-nitro-1H-pyrazole-5-sulfonyl)acetic acid
(3-methyl-4-nitro-1H-pyrazole-5-sulfonyl)acetic acid
Compound characteristics
| Compound ID: | Y507-0034 |
| Compound Name: | (3-methyl-4-nitro-1H-pyrazole-5-sulfonyl)acetic acid |
| Molecular Weight: | 249.2 |
| Molecular Formula: | C6 H7 N3 O6 S |
| Smiles: | Cc1c(c([nH]n1)S(CC(O)=O)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -0.9411 |
| logD: | -4.0052 |
| logSw: | -1.203 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.322 |
| InChI Key: | KCMHDTRAOLODSK-UHFFFAOYSA-N |