Molecule Category | Free-form |
UNII | 2JZ2B60W76 |
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 | SEPQTYODOKLVSB-UHFFFAOYSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C5H8O | |
Molecular Weight | 84.12 | |
AlogP | 1.36 | |
Hydrogen Bond Acceptor | 1.0 | |
Hydrogen Bond Donor | 0.0 | |
Number of Rotational Bond | 1.0 | |
Polar Surface Area | 17.07 | |
Molecular species | None | |
Aromatic Rings | 0.0 | |
Heavy Atoms | 6.0 |
Resources | Reference | |
---|---|---|
ChEMBL | CHEMBL453815 | |
FDA SRS | 2JZ2B60W76 | |
PubChem | 61020 | |
SureChEMBL | SCHEMBL250376 | |
ZINC | ZINC00896834 |