5-(3,5-dimethyl-1H-pyrazol-1-yl)-2-phenoxybenzene-1-sulfonic acid
Chemical Structure Depiction of
5-(3,5-dimethyl-1H-pyrazol-1-yl)-2-phenoxybenzene-1-sulfonic acid
5-(3,5-dimethyl-1H-pyrazol-1-yl)-2-phenoxybenzene-1-sulfonic acid
Compound characteristics
| Compound ID: | 6623-0812 |
| Compound Name: | 5-(3,5-dimethyl-1H-pyrazol-1-yl)-2-phenoxybenzene-1-sulfonic acid |
| Molecular Weight: | 344.39 |
| Molecular Formula: | C17 H16 N2 O4 S |
| Smiles: | Cc1cc(C)n(c2ccc(c(c2)S(O)(=O)=O)Oc2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 0.7123 |
| logD: | -13.2606 |
| logSw: | -2.0677 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.358 |
| InChI Key: | KOTWEQVEQLAXFH-UHFFFAOYSA-N |