104233-81-0
Product Name:
4-(4-(bis(2-chloroethyl)amino)phenyl)-1-hydroxybutane-1,1-bisphosphonic acid
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COMPUTED DESCRIPTORS
| Molecular Weight | 450.2 g/mol |
|---|---|
| XLogP3 | -0.1 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 11 |
| Exact Mass | 449.0326815 g/mol |
| Monoisotopic Mass | 449.0326815 g/mol |
| Topological Polar Surface Area | 139 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 491 |
| 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 | 1 |
| Compound Is Canonicalized | Yes |