1383706-12-4
Product Name:
tert-butyl 4-(4-nitro-1H-pyrazol-1-yl)azepane-1-carboxylate
Formula:
C14H22N4O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 310.35 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 310.16410520 g/mol |
| Monoisotopic Mass | 310.16410520 g/mol |
| Topological Polar Surface Area | 93.2 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 418 |
| 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 |