378227-98-6
Product Name:
(2-[(4-CHLOROPHENYL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL)ACETIC ACID
Formula:
C17H16ClNO4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 365.8 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 365.0488569 g/mol |
| Monoisotopic Mass | 365.0488569 g/mol |
| Topological Polar Surface Area | 83.1 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 553 |
| 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 |