1008859-21-9
Product Name:
4-OXO-1,2,3,3A,4,5-HEXAHYDROPYRROLO[1,2-A]QUINOXALINE-7-CARBONITRILE
Formula:
C12H11N3O
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 27.8 [ug/mL] (The mean of the results at pH 7.4) |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 213.23 g/mol |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 213.090211983 g/mol |
| Monoisotopic Mass | 213.090211983 g/mol |
| Topological Polar Surface Area | 56.1 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 359 |
| 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 |