314279-00-0
Product Name:
(E)-4-[2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)anilino]-4-oxobut-2-enoic acid
Formula:
C13H8F7NO3S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 391.26 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 6 |
| Exact Mass | 391.01131143 g/mol |
| Monoisotopic Mass | 391.01131143 g/mol |
| Topological Polar Surface Area | 91.7 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 536 |
| 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 |