338795-02-1
Product Name:
3-ACETYL-5-PHENYL-3AH-PYRROLO[3,4-D]ISOXAZOLE-4,6(5H,6AH)-DIONE
Formula:
C13H10N2O4
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | >38.7 [ug/mL] (The mean of the results at pH 7.4) |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 258.23 g/mol |
|---|---|
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 258.06405680 g/mol |
| Monoisotopic Mass | 258.06405680 g/mol |
| Topological Polar Surface Area | 76 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 479 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |