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 | JHZHQIYLUBUILL-UHFFFAOYSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C11H22NO4PS | |
Molecular Weight | 295.34 | |
AlogP | 2.88 | |
Hydrogen Bond Acceptor | 5.0 | |
Hydrogen Bond Donor | 0.0 | |
Number of Rotational Bond | 7.0 | |
Polar Surface Area | 90.95 | |
Molecular species | NEUTRAL | |
Aromatic Rings | 0.0 | |
Heavy Atoms | 18.0 |
Resources | Reference | |
---|---|---|
ChEMBL | CHEMBL2286126 | |
PubChem | 13557072 | |
SureChEMBL | SCHEMBL10616177 |