477710-16-0
Product Name:
3-(3,5-DIMETHYL-4-PROPYL-1H-PYRAZOL-1-YL)-2-[(E)-2-(2-NITROPHENYL)HYDRAZONO]-3-OXOPROPANENITRILE
Formula:
C17H18N6O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 354.4 g/mol |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 354.14403846 g/mol |
| Monoisotopic Mass | 354.14403846 g/mol |
| Topological Polar Surface Area | 129 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 607 |
| 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 |