25131-60-6
Product Name:
2-ISOQUINOLINIUM-2-YL-1-PHENYLETHAN-1-ONE BROMIDE
Formula:
C17H14BrNO
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Solubility | >49.2 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
Molecular Weight | 328.2 g/mol |
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Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 3 |
Exact Mass | 327.02588 g/mol |
Monoisotopic Mass | 327.02588 g/mol |
Topological Polar Surface Area | 21 Ų |
Heavy Atom Count | 20 |
Formal Charge | 0 |
Complexity | 308 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 2 |
Compound Is Canonicalized | Yes |