900019-53-6
Product Name:
(E)-3-(4-FLUOROPHENYL)-2-[(1-METHYL-1H-PYRROL-2-YL)CARBONYL]-2-PROPENENITRILE
Formula:
C15H11FN2O
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 36.3 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
| Molecular Weight | 254.26 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 254.08554114 g/mol |
| Monoisotopic Mass | 254.08554114 g/mol |
| Topological Polar Surface Area | 45.8 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 415 |
| 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 |