338786-25-7
Product Name:
4-(4-CHLOROPHENYL)-3-CYANO-6-OXO-5-(1-PYRIDINIUMYL)-1,4,5,6-TETRAHYDRO-2-PYRIDINETHIOLATE
Formula:
C17H12ClN3OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 341.8 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 341.0389609 g/mol |
| Monoisotopic Mass | 341.0389609 g/mol |
| Topological Polar Surface Area | 66.1 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 532 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |