896851-73-3
Product Name:
(E)-3-(2-chlorophenyl)-2-((6-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)thio)acrylic acid
Formula:
C13H11ClN2O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 310.76 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 310.0178911 g/mol |
| Monoisotopic Mass | 310.0178911 g/mol |
| Topological Polar Surface Area | 104 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 465 |
| 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 |