Dataset
![molecular Image]()
Diuron
Chemical Info
| InChI | InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14) |
|---|---|
| SMILES | CN(C)C(=O)NC1=CC(Cl)=C(Cl)C=C1 |
| InChI Key | XMTQQYYKAHVGBJ-UHFFFAOYSA-N |
| Molecular Formula | C9H10Cl2N2O |
| Exact Mass | 232.017 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-EQ00029204 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2025-02-09T09:59:32.556228 |
| MetadataModified | 2025-02-09T09:59:32.741286 |
| MetadataPublished | 2024-06-14 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| MCULE-1921281405 | Mcule |
| 89444 | Brenda |
| 107569 | Brenda |
| CB4163723 | ChemicalBook |
| 20249 | Brenda |
| 122924 | Brenda |
| 139214 | Brenda |
| 29457 | Brenda |
| 15114694 | PubChem: Thomson Pharma |
| 3120 | PubChem |
| PD001936 | ProbesDrugs |
| 147772 | Brenda |
| 330-54-1 | ACToR |
| LSM-25609 | LINCS |
| W9M | PDBe |
| SCHEMBL7279 | SureChEMBL |
| 102962-29-8 | ACToR |
| 9I3SDS92WY | FDA SRS |
| 27677901 | eMolecules |
| 509776 | eMolecules |
| CHEMBL278489 | ChEMBL |
| C18428 | KEGG Ligand |
| 116509 | ChEBI |
| HY-B0860 | MedChemExpress |
| 116509 | Rhea |
| DTXSID0020446 | EPA CompTox Dashboard |
| ZINC000000057287 | ZINC |
| 50487027 | BindingDB |
| J30.227I | Nikkaji |
| HMDB0251497 | Human Metabolome Database |
| CLPHUR | CCDC |
| The data in this table is sourced from UniChem at EBI. | |