6661-40-1
Product Name:
sodium hydrogen -2-ethoxy-5-[[4-[[4-[(4-ethoxy-3-sulphonatophenyl)amino]phenyl]-(1H-indol-3-yl-1-methyl-2-phenyl)methylene]-2,5-cyclohexadien-1-ylidene]amino]benzenesulphonate
Formula:
C44H40N3NaO8S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 823.9 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 12 |
| Exact Mass | 823.19980181 g/mol |
| Monoisotopic Mass | 823.19980181 g/mol |
| Topological Polar Surface Area | 176 Ų |
| Heavy Atom Count | 58 |
| Formal Charge | 0 |
| Complexity | 1690 |
| 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 |