339584-01-9
Product Name:
4H,5H-PYRANO[4,3-B]PYRAN-3-CARBONITRILE, 2-AMINO-4-(2-IODOPHENYL)-7-METHYL-5-OXO-
Formula:
C16H11IN2O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 406.17 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 405.98144 g/mol |
| Monoisotopic Mass | 405.98144 g/mol |
| Topological Polar Surface Area | 85.3 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 668 |
| 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 |