610258-80-5
Product Name:
3-(1-PYRIDIN-4-YL-3,4-DIHYDROISOQUINOLIN-2(1H)-YL)PROPANOIC ACID
Formula:
C17H18N2O2
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | >42.4 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
| Molecular Weight | 282.34 g/mol |
|---|---|
| XLogP3 | -0.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 282.136827821 g/mol |
| Monoisotopic Mass | 282.136827821 g/mol |
| Topological Polar Surface Area | 53.4 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 355 |
| 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 |