53921-74-7
Product Name:
(2-ACETYL-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL)ACETIC ACID
Formula:
C13H15NO3
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 32.7 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
| Molecular Weight | 233.26 g/mol |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 233.10519334 g/mol |
| Monoisotopic Mass | 233.10519334 g/mol |
| Topological Polar Surface Area | 57.6 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 316 |
| 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 |