292140-93-3
Product Name:
Propanedinitrile, [1-(2-benzothiazolyl)ethylidene]- (9CI)
Formula:
C12H7N3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 225.27 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 225.03606841 g/mol |
| Monoisotopic Mass | 225.03606841 g/mol |
| Topological Polar Surface Area | 88.7 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 391 |
| 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 |