12286-65-6
Product Name:
calcium bis[3-nitro-4-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]benzenesulphonate]
Formula:
C16H16CaN4O7S
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COMPUTED DESCRIPTORS
| Molecular Weight | 850.8 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 10 |
| Exact Mass | 850.0635807 g/mol |
| Monoisotopic Mass | 850.0635807 g/mol |
| Topological Polar Surface Area | 365 Ų |
| Heavy Atom Count | 57 |
| Formal Charge | 0 |
| Complexity | 709 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 3 |
| Compound Is Canonicalized | Yes |