12221-37-3
Product Name:
3-(3-amino-3-oxopropyl)-2-[[4-[bis(2-chloroethyl)amino]phenyl]azo]-6-methoxybenzothiazolium chloride
Formula:
C21H24Cl3N5O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 516.9 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 11 |
| Exact Mass | 515.071629 g/mol |
| Monoisotopic Mass | 515.071629 g/mol |
| Topological Polar Surface Area | 112 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 588 |
| 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 |