861210-01-7
Product Name:
N-[(E)-1,2-DICYANO-2-(2,5-DIMETHYL-1H-PYRROL-1-YL)ETHENYL]-3-(TRIFLUOROMETHYL)BENZENECARBOXAMIDE
Formula:
C18H13F3N4O
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COMPUTED DESCRIPTORS
| Molecular Weight | 358.3 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 358.10414554 g/mol |
| Monoisotopic Mass | 358.10414554 g/mol |
| Topological Polar Surface Area | 81.6 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 672 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |