94640-13-8
Product Name:
{[3-CYANO-4-(2-FURYL)-5,6,7,8-TETRAHYDROQUINOLIN-2-YL]THIO}ACETIC ACID
Formula:
C16H14N2O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 314.4 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 314.07251349 g/mol |
| Monoisotopic Mass | 314.07251349 g/mol |
| Topological Polar Surface Area | 112 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 464 |
| 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 |