327098-39-5
Product Name:
methyl 3-amino-2,4-dicyano-1-(2-fluorophenyl)-1,2,6,7,8,8a-hexahydronaphthalene-2-carboxylate
Formula:
C20H18FN3O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 351.4 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 351.13830499 g/mol |
| Monoisotopic Mass | 351.13830499 g/mol |
| Topological Polar Surface Area | 99.9 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 768 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |