946386-64-7
Product Name:
2,9-DIAZA-10-(2-CHLORO-6-FLUOROPHENYL)-14,14-DIMETHYL-12-OXOTRICYCLO[9.4.0.0(3,8)]PENTADECA-1(11),3(8),4,6-TETRAENE-5-CARBOXYLIC ACID
Formula:
C22H20ClFN2O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 414.9 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 414.1146484 g/mol |
| Monoisotopic Mass | 414.1146484 g/mol |
| Topological Polar Surface Area | 78.4 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 725 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |