Molecule Category | Free-form |
UNII | NL6H333KRF |
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 ... |
InChI Key | LETDRANQSOEVCX-UHFFFAOYSA-N | |
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Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C6H3Cl6N3 | |
Molecular Weight | 329.83 | |
AlogP | 3.17 | |
Hydrogen Bond Acceptor | 3.0 | |
Hydrogen Bond Donor | 0.0 | |
Number of Rotational Bond | 2.0 | |
Polar Surface Area | 38.67 | |
Molecular species | NEUTRAL | |
Aromatic Rings | 1.0 | |
Heavy Atoms | 15.0 |
Resources | Reference | |
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ChEMBL | CHEMBL2286882 | |
FDA SRS | NL6H333KRF | |
PubChem | 13703 | |
SureChEMBL | SCHEMBL80986 | |
ZINC | ZINC01601368 |