228728-20-9
Product Name:
3-Quinolinecarboxylicacid,6-cyano-4-hydroxy-(9CI)
Formula:
C11H6N2O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 214.18 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 214.03784206 g/mol |
| Monoisotopic Mass | 214.03784206 g/mol |
| Topological Polar Surface Area | 90.2 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 418 |
| 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 |