128924-92-5
Product Name:
12(4-nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7-triacetic acid
Formula:
C22H33N5O8
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COMPUTED DESCRIPTORS
| Molecular Weight | 495.5 g/mol |
|---|---|
| XLogP3 | -6.3 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 8 |
| Exact Mass | 495.23291303 g/mol |
| Monoisotopic Mass | 495.23291303 g/mol |
| Topological Polar Surface Area | 180 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 710 |
| 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 |