1H-indol-3-yl sulfate
PubChem CID: 4453098
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| Compound Synonyms | 1H-indol-3-yl sulfate, indoxyl sulfate(1-), CHEBI:144643, NCGC00247040-01 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 90.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | BXFFHSIDQOFMLE-UHFFFAOYSA-M |
| Fcsp3 | 0.0 |
| Rotatable Bond Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Compound Name | 1H-indol-3-yl sulfate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 212.002 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 212.002 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 284.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 212.2 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1H-indol-3-yl sulfate |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -2.1923914857142854 |
| Inchi | InChI=1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12)/p-1 |
| Smiles | C1=CC=C2C(=C1)C(=CN2)OS(=O)(=O)[O-] |
| Xlogp | 1.2 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C8H6NO4S- |
- 1. Outgoing r'ship
FOUND_INto/from Isatis Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients