| MolName | 4-amino-N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]benzamide |
| MolecularFormula | C14H18N4O |
| Smiles | Nc(cc1)ccc1C(N/N=C1/C(CC2)CCN2C1)=O |
| InChI | InChI=1S/C14H18N4O/c15-12-3-1-11(2-4-12)14(19)17-16-13-9-18-7-5-10(13)6-8-18/h1-4,10H,5-9,15H2,(H,17,19) |
| InChIK | FDBMFLGFIYCHQP-UHFFFAOYSA-N |
| TotalMolweight | 258.324 |
| Molweight | 258.324 |
| MonoisotopicMass | 258.148061 |
| CLogP | 1.3527 |
| CLogS | -2.548 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 198.56 |
| Relative PSA | 0.27614 |
| PolarSurfaceArea | 70.72 |
| Druglikeness | 7.7283 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-amino-N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]benzamide | 2 - 4-amino-N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]benzamide