Dataset
![molecular Image]()
Benzotriazole
Chemical Info
| InChI | InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9) |
|---|---|
| SMILES | C1=CC2=NNN=C2C=C1 |
| InChI Key | QRUDEWIWKLJBPS-UHFFFAOYSA-N |
| Molecular Formula | C6H5N3 |
| Exact Mass | 119.048 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN124602 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T09:36:01.647056 |
| MetadataModified | 2024-01-11T09:36:01.801280 |
| MetadataPublished | 2021-09-04 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL84963 | ChEMBL |
| 480215 | eMolecules |
| DTXSID6020147 | EPA CompTox Dashboard |
| BENZOTRIAZOLE | rxnorm |
| ZINC000000332008 | ZINC |
| 15218870 | PubChem: Thomson Pharma |
| 36293 | BindingDB |
| CB4467102 | ChemicalBook |
| 89456 | Brenda |
| 136745 | Brenda |
| 51473 | Brenda |
| 50234613 | BindingDB |
| J259.309B | Nikkaji |
| J4.709K | Nikkaji |
| MCULE-2848618742 | Mcule |
| 75331 | ChEBI |
| 30096608 | NMRShiftDB |
| BZTRAZ | CCDC |
| SCHEMBL8956 | SureChEMBL |
| HMDB0244873 | Human Metabolome Database |
| 16361286 | PubChem: Thomson Pharma |
| 7220 | PubChem |
| 27556-51-0 | ACToR |
| 273-02-9 | ACToR |
| 115773-98-3 | ACToR |
| 86110UXM5Y | FDA SRS |
| 0CT | PDBe |
| The data in this table is sourced from UniChem at EBI. | |