926241-00-1
Product Name:
2-cyano-3-[1-(2-cyanoethyl)-3-(3,4-difluorophenyl)-1H-pyrazol-4-yl]prop-2-enoic acid
Formula:
C16H10F2N4O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 328.27 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 328.07718190 g/mol |
| Monoisotopic Mass | 328.07718190 g/mol |
| Topological Polar Surface Area | 103 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 606 |
| 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 |