220986-36-7
Product Name:
4H,5H-PYRANO[4,3-B]PYRAN-3-CARBONITRILE, 2-AMINO-4-(4-BROMOPHENYL)-7-METHYL-5-OXO-
Formula:
C16H11BrN2O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 359.17 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 357.99530 g/mol |
| Monoisotopic Mass | 357.99530 g/mol |
| Topological Polar Surface Area | 85.3 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 660 |
| 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 |