Mol Weight - 112.175
Smiles - C(C1)N2CCN1CC2
| Property Name | Property Value |
| Mol Name | 1,4-Diazabicyclo(2,2,2) Octane |
| Molweight | 112.175 |
| Monoisotopic Mass | 112.100048 |
| Clogp | -0.038 |
| Clogs | 0.478 |
| H Acceptors | 2 |
| Total Surface Area | 89.66 |
| Relative Psa | 0.079188 |
| Polar Surface Area | 6.48 |
| Druglikeness | 5.5535 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.5 |
| Molecular Flexibility | 0.11349 |
| Molecular Complexity | 0.62123 |
| Fragments | 1 |
| Non H Atoms | 8 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rings Closures | 2 |
| Small Rings | 3 |
| Sp3 Atoms | 8 |
| Symmetric Atoms | 6 |
| Amines | 2 |
| Alkyl Amines | 2 |
| Basic Nitrogens | 2 |
| Smiles | C(C1)N2CCN1CC2 |
| InChIKey | InChI=1S/C6H12N2/c1-2-8-5-3-7(1)4-6-8/h1-6H2 |
| InChI | IMNIMPAHZVJRPE-UHFFFAOYSA-N |
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1 — 1,4-Diazabicyclo(2,2,2) Octane | 2 — 1,4-Diazabicyclo(2,2,2) Octane