40691-09-6
Product Name:
sodium 4-[3-(4-chlorophenyl)-4,5-dihydro-5-phenyl-1H-pyrazol-1-yl]benzenesulphonate
Formula:
C21H18ClN2NaO3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 434.9 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 434.0467855 g/mol |
| Monoisotopic Mass | 434.0467855 g/mol |
| Topological Polar Surface Area | 81.2 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 662 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |