| Synonyms | |
| Molecule Category | Free-form |
| UNII | VL6L14C06U |
| 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 | CHIFOSRWCNZCFN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H19N3O4 |
| Molecular Weight | 281.31 |
| AlogP | 4.17 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 103.66 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 20.0 |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL1256630 |
| FDA SRS | VL6L14C06U |
| PubChem | 38479 |
| SureChEMBL | SCHEMBL21821 |
| ZINC | ZINC04098978 |
CONTENTS
