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 | ARMRQFUNPQZEBQ-BJTNWVBWSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C22H18FN3O2 | |
Molecular Weight | 375.4 | |
AlogP | 4.67 | |
Hydrogen Bond Acceptor | 3.0 | |
Hydrogen Bond Donor | 3.0 | |
Number of Rotational Bond | 5.0 | |
Polar Surface Area | 73.72 | |
Molecular species | NEUTRAL | |
Aromatic Rings | 3.0 | |
Heavy Atoms | 28.0 |
Resources | Reference | |
---|---|---|
ChEMBL | CHEMBL2234138 |