| MolName | N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-4-hydroxybenzamide |
| MolecularFormula | C14H17N3O2 |
| Smiles | Oc(cc1)ccc1C(N/N=C1/C(CC2)CCN2C1)=O |
| InChI | InChI=1S/C14H17N3O2/c18-12-3-1-11(2-4-12)14(19)16-15-13-9-17-7-5-10(13)6-8-17/h1-4,10,18H,5-9H2,(H,16,19) |
| InChIK | HUFGMLLWTSWEHV-UHFFFAOYSA-N |
| TotalMolweight | 259.308 |
| Molweight | 259.308 |
| MonoisotopicMass | 259.132077 |
| CLogP | 1.6843 |
| CLogS | -2.176 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 196.39 |
| Relative PSA | 0.26814 |
| PolarSurfaceArea | 64.93 |
| Druglikeness | 7.7513 |
| 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 | 8 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-4-hydroxybenzamide | 2 - N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-4-hydroxybenzamide