129658-10-2
Product Name:
Benzeneethanamine, 2,5-dimethoxy-4-(pentylthio)-, (Z)-2-butenedioate ( 1:1)
Formula:
C15H25NO2S.C4H4O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 399.5 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 11 |
| Exact Mass | 399.17155882 g/mol |
| Monoisotopic Mass | 399.17155882 g/mol |
| Topological Polar Surface Area | 144 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 347 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |