Dataset
![molecular Image]()
mass spectrometry (MS)
Chemical Info
| InChI | InChI=1S/C13H9NOS/c15-10-5-3-4-9(8-10)13-14-11-6-1-2-7-12(11)16-13/h1-8,15H |
|---|---|
| SMILES | Oc1cccc(c1)c1nc2c(s1)cccc2 |
| InChI Key | JIWVTDBBMGSTFI-UHFFFAOYSA-N |
| Molecular Formula | C13H9NOS |
| Exact Mass | 227.282 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/JIWVTDBBMGSTFI-UHFFFAOYSA-N/CHMO0000470.1 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/JIWVTDBBMGSTFI-UHFFFAOYSA-N/CHMO0000470.1 |
| Version | |
| Author | Jérôme Wagner |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-07T02:32:38.598123 |
| MetadataModified | 2024-09-07T17:07:18.086216 |
| MetadataPublished | 2020-02-28 |
| Field | Value |
|---|---|
| Measurement Technique | mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL149322 | ChEMBL |
| 2312631 | eMolecules |
| ZINC000000520300 | ZINC |
| 33577 | BindingDB |
| DTXSID70287508 | EPA CompTox Dashboard |
| 242605 | PubChem |
| 125259580 | PubChem: Thomson Pharma |
| SCHEMBL2248827 | SureChEMBL |
| 25389-28-0 | ACToR |
| MCULE-3752004537 | Mcule |
| J1.268.062G | Nikkaji |
| The data in this table is sourced from UniChem at EBI. | |