| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID6072681 |
| InChI Key | VFCJEFOSAGTGOU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C20H24Cl1N7O4 |
| Molecular Weight | 461.16 |
| AlogP | 4.24 |
| Hydrogen Bond Acceptor | 9.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 12.0 |
| Polar Surface Area | 172.78 |
| Heavy Atoms | 32.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 72939-67-4 |
| NORMAN SUSDAT | |
| PubChem | 175335 |
| ChemSpider | 152797.0 |