5979-31-7
Product Name:
disodium 7-[(3-aminobenzoyl)amino]-4-hydroxy-3-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate
Formula:
C29H20N6Na2O8S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 690.6 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 6 |
| Exact Mass | 690.05794253 g/mol |
| Monoisotopic Mass | 690.05794253 g/mol |
| Topological Polar Surface Area | 256 Ų |
| Heavy Atom Count | 47 |
| Formal Charge | 0 |
| Complexity | 1260 |
| 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 | 3 |
| Compound Is Canonicalized | Yes |