499771-17-4
Product Name:
2-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-1,3-THIAZOL-2-YL]ACETONITRILE
Formula:
C13H10N2O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 258.30 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 258.04629874 g/mol |
| Monoisotopic Mass | 258.04629874 g/mol |
| Topological Polar Surface Area | 83.4 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 343 |
| 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 |