Dataset
![molecular Image]()
Simazine
Chemical Info
| InChI | InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13) |
|---|---|
| SMILES | CCNc(n1)nc(Cl)nc(NCC)1 |
| InChI Key | ODCWYMIRDDJXKW-UHFFFAOYSA-N |
| Molecular Formula | C7H12ClN5 |
| Exact Mass | 201.078 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-WA002935 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:49:05.850711 |
| MetadataModified | 2024-01-11T22:49:06.014166 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 27496 | ChEBI |
| CHEMBL1605837 | ChEMBL |
| C11172 | KEGG Ligand |
| DTXSID4021268 | EPA CompTox Dashboard |
| ZINC000000121575 | ZINC |
| HY-B2046 | MedChemExpress |
| HMDB0258294 | Human Metabolome Database |
| PORJOX | CCDC |
| J2.927K | Nikkaji |
| 122-34-9 | ACToR |
| LSM-19997 | LINCS |
| SG0C34SMY3 | FDA SRS |
| 5216 | PubChem |
| PD150544 | ProbesDrugs |
| SCHEMBL37774 | SureChEMBL |
| 11141-20-1 | ACToR |
| 47581 | Brenda |
| 14822286 | PubChem: Thomson Pharma |
| CB3291467 | ChemicalBook |
| MCULE-8279853852 | Mcule |
| 501392 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |