(NZ)-N-[(2Z)-2-benzylidene-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine
Formula:C14H16N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[(2Z)-2-benzylidene-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[(2Z)-2-benzylidene-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine |
| MolecularFormula | C14H16N2O |
| Smiles | O/N=C(/C1CCN2CC1)\C2=C\c1ccccc1 |
| InChI | InChI=1S/C14H16N2O/c17-15-14-12-6-8-16(9-7-12)13(14)10-11-4-2-1-3-5-11/h1-5,10,12,17H,6-9H2 |
| InChIK | HRIJKLAHYFFWJZ-UHFFFAOYSA-N |
| TotalMolweight | 228.294 |
| Molweight | 228.294 |
| MonoisotopicMass | 228.126263 |
| CLogP | 3.0267 |
| CLogS | -3.044 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 178.13 |
| Relative PSA | 0.15809 |
| PolarSurfaceArea | 35.83 |
| Druglikeness | 4.708 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (NZ)-N-[(2Z)-2-benzylidene-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine | 2 - (NZ)-N-[(2Z)-2-benzylidene-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine
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