929974-87-8
Product Name:
3-Quinolinecarboxylic acid, 2-(cyanomethyl)-4-methyl-, ethyl ester
Formula:
C15H14N2O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 254.28 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 254.105527694 g/mol |
| Monoisotopic Mass | 254.105527694 g/mol |
| Topological Polar Surface Area | 63 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 374 |
| 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 |