| Molecule Category | Free-form |
| UNII | I4JTX7Z7U2 |
| 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 | LFHISGNCFUNFFM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | CCl3NO2 |
| Molecular Weight | 164.38 |
| AlogP | 3.29 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 45.82 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL1327143 |
| FDA SRS | I4JTX7Z7U2 |
| PubChem | 6423 |
| SureChEMBL | SCHEMBL75169 |
CONTENTS
