1052511-75-7
Product Name:
ethyl 2-[2-amino-3-[(3,4-dichlorophenyl)methyl]benzimidazol-3-ium-1-yl]acetate chloride
Formula:
C18H18Cl3N3O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 414.7 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 413.046460 g/mol |
| Monoisotopic Mass | 413.046460 g/mol |
| Topological Polar Surface Area | 56.6 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 505 |
| 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 |