127118-57-4
Product Name:
4-(4-Nitrophenyl)-2,6-diamino-4H-thiopyran-3,5-dicarbonitrile
Formula:
C13H9N5O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 299.31 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 1 |
| Exact Mass | 299.04769572 g/mol |
| Monoisotopic Mass | 299.04769572 g/mol |
| Topological Polar Surface Area | 171 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 584 |
| 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 |