Keyword(s): | Human Metabolites |
Molecule Category | Free-form |
UNII | 725U788K6L |
EPA CompTox | DTXSID60209017 |
InChI Key | SJSRFXJWBKOROD-UHFFFAOYSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C13H22O2 | |
Molecular Weight | 210.16 | |
AlogP | 3.6 | |
Hydrogen Bond Acceptor | 1.0 | |
Hydrogen Bond Donor | 1.0 | |
Number of Rotational Bond | 2.0 | |
Polar Surface Area | 37.3 | |
Molecular species | None | |
Aromatic Rings | 0.0 | |
Heavy Atoms | 15.0 |
Resources | Reference | |
---|---|---|
CAS NUMBER | 60263-54-9 | |
NORMAN SUSDAT | ||
FDA SRS | 725U788K6L | |
PubChem | 108911 | |
ChemSpider | 97942.0 |