Keyword(s): | Natural Toxins |
Molecule Category | Free-form |
UNII | 298X1N12LS |
EPA CompTox | DTXSID001317668 |
InChI Key | RBRPTFMVULVGIC-ZTIIIDENSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C15H18O3 | |
Molecular Weight | 246.13 | |
AlogP | 2.59 | |
Hydrogen Bond Acceptor | 3.0 | |
Hydrogen Bond Donor | 0.0 | |
Number of Rotational Bond | 2.0 | |
Polar Surface Area | 43.37 | |
Molecular species | None | |
Aromatic Rings | 0.0 | |
Heavy Atoms | 18.0 |
Resources | Reference | |
---|---|---|
CAS NUMBER | 26791-73-1 | |
NORMAN SUSDAT | ||
FDA SRS | 298X1N12LS | |
PubChem | 5281511 | |
ChemSpider | 4444844.0 |