129658-18-0
Product Name:
Benzeneethanamine, 2,5-dimethoxy-N,N-dimethyl-4-(pentylthio)-, (Z)-2-b utenedioate (1:1)
Formula:
C17H29NO2S.C4H4O4
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 427.6 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 12 |
| Exact Mass | 427.20285895 g/mol |
| Monoisotopic Mass | 427.20285895 g/mol |
| Topological Polar Surface Area | 122 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 382 |
| 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 |