478033-16-8
Product Name:
N-(4-CYANO-3-METHYL-5-ISOXAZOLYL)-2-METHOXYBENZENECARBOXAMIDE
Formula:
C13H11N3O3
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | >38.6 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
| Molecular Weight | 257.24 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 257.08004122 g/mol |
| Monoisotopic Mass | 257.08004122 g/mol |
| Topological Polar Surface Area | 88.2 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 379 |
| 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 |