339010-37-6
Product Name:
3-[(4-CHLOROANILINO)METHYLENE]-1-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-2-PYRROLIDINONE
Formula:
C17H12Cl2F3N3O
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COMPUTED DESCRIPTORS
| Molecular Weight | 402.2 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 401.0309519 g/mol |
| Monoisotopic Mass | 401.0309519 g/mol |
| Topological Polar Surface Area | 45.2 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 550 |
| 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 |