(2Z)-9-azabicyclo[6.1.0]non-2-ene
Formula:C8H13N
Mutagenic:low
Tumorigenic:low
Reproductive Effective:high
(2Z)-9-azabicyclo[6.1.0]non-2-ene is a drug-like molecule.
| MolName | (2Z)-9-azabicyclo[6.1.0]non-2-ene |
| MolecularFormula | C8H13N |
| Smiles | C1CC2NC2/C=C\CC1 |
| InChI | InChI=1S/C8H13N/c1-2-4-6-8-7(9-8)5-3-1/h3,5,7-9H,1-2,4,6H2 |
| InChIK | NSMDINDYVZQAJR-UHFFFAOYSA-N |
| TotalMolweight | 123.198 |
| Molweight | 123.198 |
| MonoisotopicMass | 123.104799 |
| CLogP | 1.8649 |
| CLogS | -2.009 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 114.66 |
| Relative PSA | 0.18856 |
| PolarSurfaceArea | 21.94 |
| Druglikeness | -8.6733 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | oxiran/aziridine |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 9 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| StereoCenters | 2 |
| Rings Closures | 2 |
| Small Rings | 1 |
| Sp3Atoms | 7 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | unknown chirality |
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