78471-88-2
Product Name:
2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)benzonitrile
Formula:
C14H8N2OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 252.29 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 252.03573406 g/mol |
| Monoisotopic Mass | 252.03573406 g/mol |
| Topological Polar Surface Area | 69.4 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 389 |
| 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 |