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 ... |
InChI Key | DVQPEXKVCHWWCM-UHFFFAOYSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C16H10ClN5S | |
Molecular Weight | 339.8 | |
AlogP | 4.54 | |
Hydrogen Bond Acceptor | 5.0 | |
Hydrogen Bond Donor | 1.0 | |
Number of Rotational Bond | 3.0 | |
Polar Surface Area | 91.83 | |
Molecular species | NEUTRAL | |
Aromatic Rings | 4.0 | |
Heavy Atoms | 23.0 |
Resources | Reference | |
---|---|---|
ChEMBL | CHEMBL2260253 | |
PubChem | 76326464 |