55302-61-9
Product Name:
1-(3-SULFO-4-PHENOXY-PHENYL)-3-OCTADECANAMIDO-4-(2-CHLOR-4-HYDROXY)-PHENYLAZO-PYRAZOLINE-5-ONE
Formula:
C39H50ClN5O7S
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COMPUTED DESCRIPTORS
| Molecular Weight | 768.4 g/mol |
|---|---|
| XLogP3 | 11.6 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 23 |
| Exact Mass | 767.3119478 g/mol |
| Monoisotopic Mass | 767.3119478 g/mol |
| Topological Polar Surface Area | 179 Ų |
| Heavy Atom Count | 53 |
| Formal Charge | 0 |
| Complexity | 1280 |
| 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 | 1 |
| Compound Is Canonicalized | Yes |