303146-28-3
Product Name:
5-ACETYL-2-(2-BUTENYLSULFANYL)-6-METHYLNICOTINONITRILE
Formula:
C13H14N2OS
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 246.33 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 246.08268425 g/mol |
| Monoisotopic Mass | 246.08268425 g/mol |
| Topological Polar Surface Area | 79 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 345 |
| 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 |