Keyword(s): | Human Metabolites |
Molecule Category | Free-form |
UNII | IV7H45AM5B |
EPA CompTox | DTXSID40880065 |
InChI Key | KOZFSFOOLUUIGY-SOLYNIJKSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C27H21N3O5 | |
Molecular Weight | 467.15 | |
AlogP | 4.23 | |
Hydrogen Bond Acceptor | 7.0 | |
Hydrogen Bond Donor | 2.0 | |
Number of Rotational Bond | 1.0 | |
Polar Surface Area | 98.21 | |
Molecular species | None | |
Aromatic Rings | 5.0 | |
Heavy Atoms | 35.0 |
Resources | Reference | |
---|---|---|
CAS NUMBER | 99533-80-9 | |
NORMAN SUSDAT | ||
FDA SRS | IV7H45AM5B | |
PubChem | 3035817 | |
ChemSpider | 2299962.0 |