84051-87-6
Product Name:
2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium acetate
Formula:
C21H26N4O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 430.5 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 430.16747650 g/mol |
| Monoisotopic Mass | 430.16747650 g/mol |
| Topological Polar Surface Area | 130 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 484 |
| 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 |