321522-07-0
Product Name:
ETHYL 5-(4-CHLOROPHENYL)-4,6-DIOXO-1,3A,4,5,6,6A-HEXAHYDROPYRROLO[3,4-C]PYRAZOLE-3-CARBOXYLATE
Formula:
C14H12ClN3O4
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 321.71 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 321.0516336 g/mol |
| Monoisotopic Mass | 321.0516336 g/mol |
| Topological Polar Surface Area | 88.1 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 542 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |