851814-18-1
Product Name:
Acetic acid, 2-[[3-cyano-6-methyl-5-[(phenylamino)carbonyl]-2-pyridinyl]thio]-
Formula:
C16H13N3O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 327.4 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 327.06776246 g/mol |
| Monoisotopic Mass | 327.06776246 g/mol |
| Topological Polar Surface Area | 128 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 484 |
| 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 |