478258-88-7
Product Name:
2-([2,5-DIMETHYL-1-(4H-1,2,4-TRIAZOL-4-YL)-1H-PYRROL-3-YL]METHYLENE)MALONONITRILE
Formula:
C12H10N6
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COMPUTED DESCRIPTORS
| Molecular Weight | 238.25 g/mol |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 238.09669434 g/mol |
| Monoisotopic Mass | 238.09669434 g/mol |
| Topological Polar Surface Area | 83.2 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 414 |
| 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 |