852388-81-9
Product Name:
[[3-CYANO-6-OXO-4-(TRIFLUOROMETHYL)-1,6-DIHYDROPYRIDIN-2-YL]THIO]ACETIC ACID
Formula:
C9H5F3N2O3S
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | >41.7 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
| Molecular Weight | 278.21 g/mol |
|---|---|
| XLogP3 | 0.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 277.99729769 g/mol |
| Monoisotopic Mass | 277.99729769 g/mol |
| Topological Polar Surface Area | 116 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 513 |
| 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 |