93980-98-4
Product Name:
2-[[4-chloro-6-isopropoxy-1,3,5-triazin-2-yl]amino]-5-[[1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-5-(sulphomethyl)-3-pyridyl]azo]-benzene-1,4-disulphonic acid
Formula:
C21H24ClN7O12S3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 698.1 g/mol |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 11 |
| Exact Mass | 697.0333604 g/mol |
| Monoisotopic Mass | 697.0333604 g/mol |
| Topological Polar Surface Area | 313 Ų |
| Heavy Atom Count | 44 |
| Formal Charge | 0 |
| Complexity | 1520 |
| 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 |