| Synonyms | |
| Molecule Category | Free-form |
| UNII | T9W3VH6G10 |
| EPA CompTox | DTXSID9025796 |
| Source | Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ... |
Structure
| InChI Key | BKIMMITUMNQMOS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H20 |
| Molecular Weight | 128.26 |
| AlogP | 4.48 |
| Number of Rotational Bond | 6.0 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 111-84-2 |
| ChEMBL | CHEMBL335900 |
| FDA SRS | T9W3VH6G10 |
| PDB | DD9 |
| PubChem | 8141 |
| SureChEMBL | SCHEMBL23798 |
| ZINC | ZINC01698517 |
CONTENTS
