4-Azaniumylbenzenesulfonate
Representations & DB's id
| ||
| ChEBI: | CHEBI:27500 | |
|---|---|---|
| ChEMBL: | CHEMBL1566888 | |
| PubChem: | 8479 | |
| IUPAC: | 4-azaniumylbenzenesulfonate | |
| Standard InChI: | InChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10) | |
| Standard InChI Key: | HVBSAKJJOYLTQU-UHFFFAOYSA-N | |
| SMILES: | Nc1ccc(cc1)S(=O)(=O)O | |
Molecular propeties
| ||
| AlogP: | 0.52 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 1 | |
| Molecular Weight: | 173.01 | |
| Topological polar surface area: | 88.8 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0 | |
| Number of carbons: | 6 | |