730958-61-9
Product Name:
2-(FURAN-2-CARBONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
Formula:
C22H16F3NO4
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Solubility | 30.7 [ug/mL] (The mean of the results at pH 7.4) |
---|
COMPUTED DESCRIPTORS
Molecular Weight | 271.27 g/mol |
---|---|
XLogP3 | 1.9 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 2 |
Exact Mass | 271.08445790 g/mol |
Monoisotopic Mass | 271.08445790 g/mol |
Topological Polar Surface Area | 70.8 Ų |
Heavy Atom Count | 20 |
Formal Charge | 0 |
Complexity | 397 |
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 |