793715-99-8
Product Name:
Benzoic acid, 2-[[(3,5-dimethyl-4-isoxazolyl)methyl]thio]-
Formula:
C13H13NO3S
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | >39.5 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
| Molecular Weight | 263.31 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 263.06161445 g/mol |
| Monoisotopic Mass | 263.06161445 g/mol |
| Topological Polar Surface Area | 88.6 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 300 |
| 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 |