3374-30-9
Product Name:
dihydrogen bis[(benzyl)[4-[[4-(benzylethylamino)phenyl](5-hydroxy-2,4-disulphonatophenyl)methylene]cyclohexa-2,5-dien-1-ylidene](ethyl)ammonium], calcium salt
Formula:
2C37H35N2O7S2.Ca
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COMPUTED DESCRIPTORS
| Molecular Weight | 685.8 g/mol |
|---|---|
| XLogP3 | 6.2 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 11 |
| Exact Mass | 685.20421887 g/mol |
| Monoisotopic Mass | 685.20421887 g/mol |
| Topological Polar Surface Area | 152 Ų |
| Heavy Atom Count | 48 |
| Formal Charge | 1 |
| Complexity | 1340 |
| 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 |