(NZ)-N-[(2Z)-2-(furan-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine
Formula:C12H14N2O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[(2Z)-2-(furan-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[(2Z)-2-(furan-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine |
| MolecularFormula | C12H14N2O2 |
| Smiles | O/N=C(/C1CCN2CC1)\C2=C\c1ccco1 |
| InChI | InChI=1S/C12H14N2O2/c15-13-12-9-3-5-14(6-4-9)11(12)8-10-2-1-7-16-10/h1-2,7-9,15H,3-6H2 |
| InChIK | GDVIGVSHAWGESR-UHFFFAOYSA-N |
| TotalMolweight | 218.255 |
| Molweight | 218.255 |
| MonoisotopicMass | 218.105528 |
| CLogP | 2.2154 |
| CLogS | -2.726 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 167.82 |
| Relative PSA | 0.25188 |
| PolarSurfaceArea | 48.97 |
| Druglikeness | 4.3362 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (NZ)-N-[(2Z)-2-(furan-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine | 2 - (NZ)-N-[(2Z)-2-(furan-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine
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