| Synonyms | |
| Molecule Category | Free-form |
| UNII | 3SCV180C9W |
| 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 | KWIUHFFTVRNATP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H11NO2 |
| Molecular Weight | 117.15 |
| AlogP | -3.03 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 40.12 |
| Molecular species | ACID |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 107-43-7 |
| ChEMBL | CHEMBL1182 |
| FDA SRS | 3SCV180C9W |
| PubChem | 247 |
| SureChEMBL | SCHEMBL7739 |
| ZINC | ZINC01532728 |
CONTENTS
