400073-92-9
Product Name:
2-CYCLOPENTYL-3-(2,4-DICHLOROPHENYL)-1-OXO-1,2,3,4-TETRAHYDRO-4-ISOQUINOLINECARBOXYLIC ACID
Formula:
C21H19Cl2NO3
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COMPUTED DESCRIPTORS
| Molecular Weight | 404.3 g/mol |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 403.0741989 g/mol |
| Monoisotopic Mass | 403.0741989 g/mol |
| Topological Polar Surface Area | 57.6 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 580 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |