Keyword(s): | Human Metabolites |
Molecule Category | Free-form |
UNII | 0GKA6U7Q9G |
EPA CompTox | DTXSID30865023 |
InChI Key | DWUPJMHAPOQKGJ-UHFFFAOYSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C9H18O1 | |
Molecular Weight | 142.14 | |
AlogP | 2.5 | |
Hydrogen Bond Acceptor | 1.0 | |
Hydrogen Bond Donor | 1.0 | |
Number of Rotational Bond | 6.0 | |
Polar Surface Area | 20.23 | |
Molecular species | None | |
Aromatic Rings | 0.0 | |
Heavy Atoms | 10.0 |
Resources | Reference | |
---|---|---|
CAS NUMBER | 21964-44-3 | |
NORMAN SUSDAT | ||
FDA SRS | 0GKA6U7Q9G | |
PubChem | 89560 | |
ChemSpider | 80830.0 |