Synonyms | |
Molecule Category | Free-form |
UNII | 663456969I |
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 | WEYVVCKOOFYHRW-SFHVURJKSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C18H16O7 | |
Molecular Weight | 344.32 | |
AlogP | 1.09 | |
Hydrogen Bond Acceptor | 7.0 | |
Hydrogen Bond Donor | 3.0 | |
Number of Rotational Bond | 2.0 | |
Polar Surface Area | 121.13 | |
Molecular species | ACID | |
Aromatic Rings | 1.0 | |
Heavy Atoms | 25.0 |
Resources | Reference | |
---|---|---|
ChEMBL | CHEMBL367881 | |
FDA SRS | 663456969I | |
PDB | AIY | |
PubChem | 478125 | |
SureChEMBL | SCHEMBL177775 |