80760-86-7
Product Name:
1-Piperazineethanol, 4-(10,11-dihydro-3-fluoro-8-iododibenzo(b,f)thiep in-10-yl)-, (Z)-2-butenedioate (1:2)
Formula:
C20H22FIN2OS.2C4H4O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 716.5 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 7 |
| Exact Mass | 716.07008 g/mol |
| Monoisotopic Mass | 716.07008 g/mol |
| Topological Polar Surface Area | 201 Ų |
| Heavy Atom Count | 42 |
| Formal Charge | 0 |
| Complexity | 584 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 3 |
| Compound Is Canonicalized | Yes |