| MolName | N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-3-hydroxynaphthalene-2-carboxamide |
| MolecularFormula | C18H19N3O2 |
| Smiles | Oc1cc2ccccc2cc1C(N/N=C1/C(CC2)CCN2C1)=O |
| InChI | InChI=1S/C18H19N3O2/c22-17-10-14-4-2-1-3-13(14)9-15(17)18(23)20-19-16-11-21-7-5-12(16)6-8-21/h1-4,9-10,12,22H,5-8,11H2,(H,20,23) |
| InChIK | YAPBLALJLJMRGS-UHFFFAOYSA-N |
| TotalMolweight | 309.368 |
| Molweight | 309.368 |
| MonoisotopicMass | 309.147727 |
| CLogP | 2.8787 |
| CLogS | -3.782 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 230.99 |
| Relative PSA | 0.22798 |
| PolarSurfaceArea | 64.93 |
| Druglikeness | 7.7513 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-3-hydroxynaphthalene-2-carboxamide | 2 - N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-3-hydroxynaphthalene-2-carboxamide