Molecule Category | Free-form |
UNII | RIM60IN3PY |
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 | DSTPUJAJSXTJHM-UHFFFAOYSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C10H14O | |
Molecular Weight | 150.22 | |
AlogP | 3.27 | |
Hydrogen Bond Acceptor | 1.0 | |
Hydrogen Bond Donor | 1.0 | |
Number of Rotational Bond | 1.0 | |
Polar Surface Area | 20.23 | |
Molecular species | NEUTRAL | |
Aromatic Rings | 1.0 | |
Heavy Atoms | 11.0 |
Resources | Reference | |
---|---|---|
ChEMBL | CHEMBL2288299 | |
FDA SRS | RIM60IN3PY | |
PubChem | 78153 | |
SureChEMBL | SCHEMBL852892 | |
ZINC | ZINC01691010 |