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 | SVGBNTOHFITEDI-UHFFFAOYSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C14H11Cl2NO4 | |
Molecular Weight | 328.15 | |
AlogP | 4.06 | |
Hydrogen Bond Acceptor | 5.0 | |
Hydrogen Bond Donor | 1.0 | |
Number of Rotational Bond | 5.0 | |
Polar Surface Area | 68.65 | |
Molecular species | ACID | |
Aromatic Rings | 2.0 | |
Heavy Atoms | 21.0 |
Resources | Reference | |
---|---|---|
ChEMBL | CHEMBL2288782 | |
SureChEMBL | SCHEMBL134252 |