109025-88-9
Product Name:
1,1'-DIETHYL-3-ETHYL-3'(SULFOBUTYL)-5,5'-DICYANO-BENZIMIDOTRIMETHINECYANINE-BETAINE
Formula:
C29H32N6O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 544.7 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 9 |
| Exact Mass | 544.22566008 g/mol |
| Monoisotopic Mass | 544.22566008 g/mol |
| Topological Polar Surface Area | 128 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 1100 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 2 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |