Dataset
![molecular Image]()
Ioxynil
Chemical Info
| InChI | InChI=1S/C7H3I2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H |
|---|---|
| SMILES | N#Cc(c1)cc(I)c(O)c(I)1 |
| InChI Key | NRXQIUSYPAHGNM-UHFFFAOYSA-N |
| Molecular Formula | C7H3I2NO |
| Exact Mass | 370.830 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-nc/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000183 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:31:50.047867 |
| MetadataModified | 2025-02-09T20:22:17.177828 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| MCULE-3122237736 | Mcule |
| 20987 | NMRShiftDB |
| CB9365917 | ChemicalBook |
| 23221 | Brenda |
| 29452 | Brenda |
| ZINC000004262023 | ZINC |
| 81821 | ChEBI |
| SCHEMBL39616 | SureChEMBL |
| 8Y734M4V9E | FDA SRS |
| 15530 | PubChem |
| 1689-83-4 | ACToR |
| 14755364 | PubChem: Thomson Pharma |
| 500856 | eMolecules |
| J3.375H | Nikkaji |
| DTXSID8022161 | EPA CompTox Dashboard |
| XAZWIF | CCDC |
| HMDB0253557 | Human Metabolome Database |
| C18546 | KEGG Ligand |
| CHEMBL509523 | ChEMBL |
| The data in this table is sourced from UniChem at EBI. | |