| Synonyms | |
| Molecule Category | Free-form |
| UNII | 44LJ2U959V |
| EPA CompTox | DTXSID2021284 |
| 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 | PPBRXRYQALVLMV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H8 |
| Molecular Weight | 104.15 |
| AlogP | 2.38 |
| Number of Rotational Bond | 1.0 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 100-42-5 |
| ChEMBL | CHEMBL285235 |
| FDA SRS | 44LJ2U959V |
| PDB | SYN |
| PubChem | 7501 |
| SureChEMBL | SCHEMBL140 |
| ZINC | ZINC00968269 |
CONTENTS
