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 | QMTRPEYMFKONLX-UHFFFAOYSA-N |
---|---|
Smiles | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C6H9BrN2O6P2 |
Molecular Weight | 347.0 |
AlogP | 1.02 |
Hydrogen Bond Acceptor | 8.0 |
Hydrogen Bond Donor | 5.0 |
Number of Rotational Bond | 4.0 |
Polar Surface Area | 159.6 |
Molecular species | ACID |
Aromatic Rings | 1.0 |
Heavy Atoms | 17.0 |
Resources | Reference |
---|---|
ChEMBL | CHEMBL100483 |
PubChem | 405381 |
SureChEMBL | SCHEMBL15163891 |