4-Aminobenzenesulfonate
PubChem CID: 3335443
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| Compound Synonyms | 4-Aminobenzenesulfonate, sulfanilate, p-amino benzene sulfonate, CHEBI:20313, SULFANILATE ZINC, para-anilinesulfonic acid, AKOS015897270, SBI-0206723.P001, AB01562990_01, A804760, Q27109293 |
|---|---|
| Topological Polar Surface Area | 91.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 197.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-aminobenzenesulfonate |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -0.7 |
| Is Pains | False |
| Molecular Formula | C6H6NO3S- |
| Prediction Swissadme | 0.0 |
| Inchi Key | HVBSAKJJOYLTQU-UHFFFAOYSA-M |
| Fcsp3 | 0.0 |
| Rotatable Bond Count | 0.0 |
| Compound Name | 4-Aminobenzenesulfonate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 172.007 |
| Formal Charge | -1.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 172.007 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 172.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.11561663636363656 |
| Inchi | InChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)/p-1 |
| Smiles | C1=CC(=CC=C1N)S(=O)(=O)[O-] |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Juniperus Rigida (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Salvia Trijuga (Plant) Rel Props:Source_db:cmaup_ingredients