116314-52-4
Product Name:
Entacapone Impurity 2（Entacapone EP Impurity B）
Formula:
C12H10N2O6
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 278.22 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 278.05388604 g/mol |
| Monoisotopic Mass | 278.05388604 g/mol |
| Topological Polar Surface Area | 136 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 460 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |