7253-35-2
Product Name:
Benzenemethanaminium,N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]-2-methylphenyl][4-(phenylamino)phenyl]methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]-3-sulfo-,inner salt, sodium salt (1:1)
Formula:
C45H46N3O6S2+
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 789.0 g/mol |
|---|---|
| XLogP3 | 7.9 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 13 |
| Exact Mass | 788.28280354 g/mol |
| Monoisotopic Mass | 788.28280354 g/mol |
| Topological Polar Surface Area | 144 Ų |
| Heavy Atom Count | 56 |
| Formal Charge | 1 |
| Complexity | 1560 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |