307540-49-4
Product Name:
isoquinolin-1-yl(phenyl)methyl 4-nitrobenzoate
Formula:
C23H16N2O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 384.4 g/mol |
|---|---|
| XLogP3 | 5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 384.11100700 g/mol |
| Monoisotopic Mass | 384.11100700 g/mol |
| Topological Polar Surface Area | 85 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 564 |
| 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 |