477865-34-2
Product Name:
2-([(4-CHLOROPHENYL)(CYANO)METHYL]SULFANYL)-4,6-DIMETHYLNICOTINONITRILE
Formula:
C16H12ClN3S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 313.8 g/mol |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 313.0440463 g/mol |
| Monoisotopic Mass | 313.0440463 g/mol |
| Topological Polar Surface Area | 85.8 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 443 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |