2094924-97-5
Product Name:
1H-Azepine, hexahydro-4-(1-methyl-1H-pyrazol-5-yl)-, hydrochloride (1:2)
Formula:
C10H18ClN3
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COMPUTED DESCRIPTORS
| Molecular Weight | 252.18 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 251.0956030 g/mol |
| Monoisotopic Mass | 251.0956030 g/mol |
| Topological Polar Surface Area | 29.8 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 160 |
| 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 | 3 |
| Compound Is Canonicalized | Yes |