Keyword(s): | Food Contact Chemicals ; Drinking Water Chemicals ; Human Metabolites |
Molecule Category | Free-form |
UNII | 9P2ZLV19F4 |
EPA CompTox | DTXSID4064507 |
InChI Key | XFYQEBBUVNLYBR-UHFFFAOYSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C18H10N2O1 | |
Molecular Weight | 270.08 | |
AlogP | 3.89 | |
Hydrogen Bond Acceptor | 2.0 | |
Hydrogen Bond Donor | 0.0 | |
Number of Rotational Bond | 0.0 | |
Polar Surface Area | 32.67 | |
Molecular species | None | |
Aromatic Rings | 3.0 | |
Heavy Atoms | 21.0 |
Resources | Reference | |
---|---|---|
CAS NUMBER | 6925-69-5 | |
NORMAN SUSDAT | ||
FDA SRS | 9P2ZLV19F4 | |
PubChem | 81344 | |
ChemSpider | 73393.0 |