Dataset
![molecular Image]()
Atrazine
Chemical Info
| InChI | InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14) |
|---|---|
| SMILES | CCNC1=NC(NC(C)C)=NC(Cl)=N1 |
| InChI Key | MXWJVTOOROXGIU-UHFFFAOYSA-N |
| Molecular Formula | C8H14ClN5 |
| Exact Mass | 215.094 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-sa/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00028805 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2025-02-09T10:34:37.433024 |
| MetadataModified | 2025-02-09T10:34:37.622693 |
| MetadataPublished | 2024-06-14 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| DB07392 | DrugBank |
| C06551 | KEGG Ligand |
| CHEMBL15063 | ChEMBL |
| 15930 | ChEBI |
| ATZ | PDBe |
| HY-N7091 | MedChemExpress |
| DTXSID9020112 | EPA CompTox Dashboard |
| J3.685D | Nikkaji |
| PORJIR | CCDC |
| CB3349447 | ChemicalBook |
| SCHEMBL21045984 | SureChEMBL |
| MCULE-1965771911 | Mcule |
| 2256 | PubChem |
| 1113 | Brenda |
| ZINC000003078958 | ZINC |
| 15930 | Rhea |
| HMDB0041830 | Human Metabolome Database |
| CB6349448 | ChemicalBook |
| 15172027 | PubChem: Thomson Pharma |
| 60027796 | NMRShiftDB |
| PD005295 | ProbesDrugs |
| QJA9M5H4IM | FDA SRS |
| 11121-31-6 | ACToR |
| 1912-24-9 | ACToR |
| SCHEMBL36936 | SureChEMBL |
| LSM-18990 | LINCS |
| 495715 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |