494792-12-0
Product Name:
6-amino-8-(2,3-dichlorophenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
Formula:
C18H13Cl2N5
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 370.2 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 369.0548008 g/mol |
| Monoisotopic Mass | 369.0548008 g/mol |
| Topological Polar Surface Area | 109 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 770 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |