129340-04-1
Product Name:
3-MERCAPTO-1-P-TOLYL-5,6,7,8-TETRAHYDRO-ISOQUINOLINE-4-CARBONITRILE
Formula:
C17H16N2S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 280.4 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 280.10341969 g/mol |
| Monoisotopic Mass | 280.10341969 g/mol |
| Topological Polar Surface Area | 67.9 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 539 |
| 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 |