1019442-90-0
Product Name:
7-isothiocyanato-3,4-dihydro-2H-1,5-benzodioxepine
Formula:
C10H9NO2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 207.25 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 207.03539970 g/mol |
| Monoisotopic Mass | 207.03539970 g/mol |
| Topological Polar Surface Area | 62.9 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 240 |
| 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 |