6505-30-2
Product Name:
hydrogen [4-[[4-(diethylamino)phenyl][4-[ethyl[(3-sulphonatobenzyl)amino]-o-tolyl]methylene]-3-methylcyclohexa-2,5-dien-1-ylidene](ethyl)(3-sulphonatobenzyl)ammonium, sodium salt
Formula:
C43H49N3O6S2.Na
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COMPUTED DESCRIPTORS
| Molecular Weight | 791.0 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 14 |
| Exact Mass | 790.29604792 g/mol |
| Monoisotopic Mass | 790.29604792 g/mol |
| Topological Polar Surface Area | 138 Ų |
| Heavy Atom Count | 55 |
| Formal Charge | 1 |
| Complexity | 1580 |
| 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 |