478081-05-9
Product Name:
2-OXO-1,3-BENZOXATHIOL-6-YL 2-[(3,4,4-TRIFLUORO-3-BUTENYL)SULFANYL]NICOTINATE
Formula:
C17H10F3NO4S2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 413.4 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 7 |
| Exact Mass | 413.00033463 g/mol |
| Monoisotopic Mass | 413.00033463 g/mol |
| Topological Polar Surface Area | 116 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 603 |
| 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 |