113858-98-3
Product Name:
ETHYL 5-CYANO-6-(METHYLSULFANYL)-2-PHENYLNICOTINATE
Formula:
C16H14N2O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 298.4 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 298.07759887 g/mol |
| Monoisotopic Mass | 298.07759887 g/mol |
| Topological Polar Surface Area | 88.3 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 400 |
| 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 |