866018-99-7
Product Name:
(E)-1-[4-(2,5-DIMETHYL-1H-PYRROL-1-YL)PHENYL]-3-(4-IODOANILINO)-2-PROPEN-1-ONE
Formula:
C21H19IN2O
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 442.3 g/mol |
|---|---|
| XLogP3 | 5.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 442.05421 g/mol |
| Monoisotopic Mass | 442.05421 g/mol |
| Topological Polar Surface Area | 34 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 455 |
| 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 |