| Molecule Category | Free-form |
| UNII | 4482BZC72D |
| 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 | OUDFNZMQXZILJD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H6O2 |
| Molecular Weight | 110.11 |
| AlogP | 1.13 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 30.21 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 620-02-0 |
| ChEMBL | CHEMBL2230304 |
| FDA SRS | 4482BZC72D |
| PubChem | 12097 |
| SureChEMBL | SCHEMBL51606 |
| ZINC | ZINC00900814 |
CONTENTS
