Mol Weight - 124.186
Smiles - C(C1)CN2C1=NCCC2
| Property Name | Property Value |
| Mol Name | 1,5-Diazabicyclo[4.3.0]non-5-ene |
| Molweight | 124.186 |
| Monoisotopic Mass | 124.100048 |
| Clogp | 0.4119 |
| Clogs | -0.947 |
| H Acceptors | 2 |
| Total Surface Area | 102.33 |
| Relative Psa | 0.14717 |
| Polar Surface Area | 15.6 |
| Druglikeness | 3.1209 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.55556 |
| Molecular Flexibility | 0.12886 |
| Molecular Complexity | 0.69315 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3 Atoms | 6 |
| Basic Nitrogens | 1 |
| Smiles | C(C1)CN2C1=NCCC2 |
| InChIKey | InChI=1S/C7H12N2/c1-3-7-8-4-2-6-9(7)5-1/h1-6H2 |
| InChI | SGUVLZREKBPKCE-UHFFFAOYSA-N |
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1 — 1,5-Diazabicyclo[4.3.0]non-5-ene | 2 — 1,5-Diazabicyclo[4.3.0]non-5-ene