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 |
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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 |