400073-91-8
Product Name:
3-(4-CHLOROPHENYL)-2-CYCLOHEXYL-1-OXO-1,2,3,4-TETRAHYDRO-4-ISOQUINOLINECARBOXYLIC ACID
Formula:
C22H22ClNO3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 383.9 g/mol |
|---|---|
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 383.1288213 g/mol |
| Monoisotopic Mass | 383.1288213 g/mol |
| Topological Polar Surface Area | 57.6 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 554 |
| 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 |