| MolName | N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]spiro[2.3]hexane-2-carboxamide |
| MolecularFormula | C24H24N2O |
| Smiles | O=C(C(C1)C11CCC1)NN=C(/C=C/c1ccccc1)/C=C/c1ccccc1 |
| InChI | InChI=1S/C24H24N2O/c27-23(22-18-24(22)16-7-17-24)26-25-21(14-12-19-8-3-1-4-9-19)15-13-20-10-5-2-6-11-20/h1-6,8-15,22H,7,16-18H2,(H,26,27)/t22-/m1/s1 |
| InChIK | IIWWYVKXMVNAJG-JOCHJYFZSA-N |
| TotalMolweight | 356.468 |
| Molweight | 356.468 |
| MonoisotopicMass | 356.188863 |
| CLogP | 5.0572 |
| CLogS | -5.806 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 289.15 |
| Relative PSA | 0.12454 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 3.4882 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 11 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]spiro[2.3]hexane-2-carboxamide | 2 - N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]spiro[2.3]hexane-2-carboxamide