23486-22-8
Product Name:
Isoquinoline,2-[3-(ethylsulfinyl)propyl]-1,2,3,4-tetrahydro-, hydrochloride (1:1)
Formula:
C14H22ClNOS
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COMPUTED DESCRIPTORS
| Molecular Weight | 287.8 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 287.1110632 g/mol |
| Monoisotopic Mass | 287.1110632 g/mol |
| Topological Polar Surface Area | 39.5 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 257 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |