Keyword(s): | Human Metabolites |
Molecule Category | Free-form |
InChI Key | JZKYSWRJGPWVDK-UHFFFAOYSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C13H11NO4S | |
Molecular Weight | 277.04 | |
AlogP | 1.67 | |
Hydrogen Bond Acceptor | 3.0 | |
Hydrogen Bond Donor | 1.0 | |
Number of Rotational Bond | 4.0 | |
Polar Surface Area | 83.8 | |
Molecular species | None | |
Aromatic Rings | 2.0 | |
Heavy Atoms | 19.0 |
Resources | Reference | |
---|---|---|
CAS NUMBER | 28965-79-9 | |
NORMAN SUSDAT | ||
PubChem | 120105 |