306980-00-7
Product Name:
ETHYL 5-CYANO-2-PHENYL-6-(PHENYLSULFANYL)NICOTINATE
Formula:
C21H16N2O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 360.4 g/mol |
|---|---|
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 360.09324893 g/mol |
| Monoisotopic Mass | 360.09324893 g/mol |
| Topological Polar Surface Area | 88.3 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 505 |
| 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 |