| Molecule Category | Free-form |
| 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 | JNZUMEMWAPJNLC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H16N2O |
| Molecular Weight | 144.21 |
| AlogP | -0.91 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 55.12 |
| Molecular species | BASE |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL2261441 |
| PubChem | 19913541 |
| SureChEMBL | SCHEMBL9721210 |
CONTENTS
