338403-24-0
Product Name:
4-[(4-CHLOROANILINO)METHYLENE]-2-[4-(TRIFLUOROMETHOXY)PHENYL]-5-(TRIFLUOROMETHYL)-2,4-DIHYDRO-3H-PYRAZOL-3-ONE
Formula:
C18H10ClF6N3O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 449.7 g/mol |
|---|---|
| XLogP3 | 5.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 4 |
| Exact Mass | 449.0365732 g/mol |
| Monoisotopic Mass | 449.0365732 g/mol |
| Topological Polar Surface Area | 53.9 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 693 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |