127985-74-4
Product Name:
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 2-[(4-isothiocyanatophenyl)methyl]-
Formula:
C24H33N5O8S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 551.6 g/mol |
|---|---|
| XLogP3 | -7.2 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 11 |
| Exact Mass | 551.20498420 g/mol |
| Monoisotopic Mass | 551.20498420 g/mol |
| Topological Polar Surface Area | 207 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 863 |
| 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 |