Keyword(s): | Human Metabolites |
Molecule Category | Free-form |
EPA CompTox | DTXSID90194104 |
InChI Key | YFBMJEBQWQBRQJ-UHFFFAOYSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C18H17N3 | |
Molecular Weight | 275.14 | |
AlogP | 4.32 | |
Hydrogen Bond Acceptor | 3.0 | |
Hydrogen Bond Donor | 2.0 | |
Number of Rotational Bond | 3.0 | |
Polar Surface Area | 55.28 | |
Molecular species | None | |
Aromatic Rings | 3.0 | |
Heavy Atoms | 21.0 |