338982-39-1
Product Name:
2-(3-CHLOROPHENYL)-3,5-DIOXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZINE-6-CARBONITRILE
Formula:
C10H5ClN4O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 248.62 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 248.0101031 g/mol |
| Monoisotopic Mass | 248.0101031 g/mol |
| Topological Polar Surface Area | 85.6 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 439 |
| 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 |