12769-09-4
Product Name:
trisodium 2-chloro-5-[[4,5-dihydro-3-methyl-5-oxo-1-[4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]-1H-pyrazol-4-yl]azo]-4-sulphonatobenzoate
Formula:
C19H18ClN4NaO12S3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 691.0 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 7 |
| Exact Mass | 689.9151960 g/mol |
| Monoisotopic Mass | 689.9151960 g/mol |
| Topological Polar Surface Area | 280 Ų |
| Heavy Atom Count | 42 |
| Formal Charge | 0 |
| Complexity | 1290 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 4 |
| Compound Is Canonicalized | Yes |