475041-45-3
Product Name:
2-(4-FLUORO-BENZENESULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
Formula:
C16H14FNO4S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 335.4 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 335.06275726 g/mol |
| Monoisotopic Mass | 335.06275726 g/mol |
| Topological Polar Surface Area | 83.1 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 539 |
| 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 |