585554-45-6
Product Name:
(E)-2-(1,3-benzothiazol-2-yl)-3-[3-(trifluoromethyl)anilino]prop-2-enenitrile
Formula:
C17H10F3N3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 345.3 g/mol |
|---|---|
| XLogP3 | 5.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 345.05475299 g/mol |
| Monoisotopic Mass | 345.05475299 g/mol |
| Topological Polar Surface Area | 77 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 525 |
| 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 |