339106-86-4
Product Name:
N-(4-IODOPHENYL)-2-[(3,4,4-TRIFLUORO-3-BUTENYL)SULFANYL]NICOTINAMIDE
Formula:
C16H12F3IN2OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 464.2 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 463.96672 g/mol |
| Monoisotopic Mass | 463.96672 g/mol |
| Topological Polar Surface Area | 67.3 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 455 |
| 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 |