| MolName | N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]bicyclo[4.1.0]heptane-7-carboxamide |
| MolecularFormula | C25H26N2O |
| Smiles | O=C(C1C2C1CCCC2)NN=C(/C=C/c1ccccc1)/C=C/c1ccccc1 |
| InChI | InChI=1S/C25H26N2O/c28-25(24-22-13-7-8-14-23(22)24)27-26-21(17-15-19-9-3-1-4-10-19)18-16-20-11-5-2-6-12-20/h1-6,9-12,15-18,22-24H,7-8,13-14H2,(H,27,28) |
| InChIK | DHFZLKARYHEQLD-UHFFFAOYSA-N |
| TotalMolweight | 370.494 |
| Molweight | 370.494 |
| MonoisotopicMass | 370.204513 |
| CLogP | 5.337 |
| CLogS | -6.059 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 303.74 |
| Relative PSA | 0.11856 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | -0.93772 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 2 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 13 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]bicyclo[4.1.0]heptane-7-carboxamide | 2 - N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]bicyclo[4.1.0]heptane-7-carboxamide