Dataset
![molecular Image]()
Neocuproine
Chemical Info
| InChI | InChI=1S/C14H12N2/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9/h3-8H,1-2H3 |
|---|---|
| SMILES | CC1=NC2=C(C=C1)C=CC1=C2N=C(C)C=C1 |
| InChI Key | IYRGXJIJGHOCFS-UHFFFAOYSA-N |
| Molecular Formula | C14H12N2 |
| Exact Mass | 208.264 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR301479 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T19:34:44.126045 |
| MetadataModified | 2025-02-09T18:32:06.103417 |
| MetadataPublished | 2019-03-28 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL375781 | ChEMBL |
| HMDB0255520 | Human Metabolome Database |
| QQQACY | CCDC |
| J5.993E | Nikkaji |
| 91222 | ChEBI |
| DTXSID5060065 | EPA CompTox Dashboard |
| 64740 | BindingDB |
| ZINC000000119332 | ZINC |
| 16736 | Brenda |
| CB2293909 | ChemicalBook |
| 65237 | PubChem |
| PD011780 | ProbesDrugs |
| 8E7D2SH3BV | FDA SRS |
| LSM-19991 | LINCS |
| SCHEMBL124563 | SureChEMBL |
| 303136-82-5 | ACToR |
| 484-11-7 | ACToR |
| 15195686 | PubChem: Thomson Pharma |
| 592480 | eMolecules |
| 43051 | Brenda |
| CB0429520 | ChemicalBook |
| 98136 | Brenda |
| 4845 | Brenda |
| MCULE-3651567163 | Mcule |
| The data in this table is sourced from UniChem at EBI. | |