94397-86-1
Product Name:
2-Propen-1-one, 1-(4-isothiocyanatophenyl)-3-phenyl-, (E)- (9CI)
Formula:
C16H11NOS
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COMPUTED DESCRIPTORS
| Molecular Weight | 265.3 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 265.05613515 g/mol |
| Monoisotopic Mass | 265.05613515 g/mol |
| Topological Polar Surface Area | 61.5 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 370 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |