125498-83-1
Product Name:
Buspirone Impurity 1 (Lactone of 6-Hydroxy Buspirone)
Formula:
C21H31N5O3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 401.5 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 401.24268987 g/mol |
| Monoisotopic Mass | 401.24268987 g/mol |
| Topological Polar Surface Area | 87.7 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 567 |
| 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 | 1 |
| Compound Is Canonicalized | Yes |