| MolName | N-[(Z)-[(5Z)-5-(phenylhydrazinylidene)-2,3,4,4a,6,7,8,8a-octahydronaphthalen-1-ylidene]amino]aniline |
| MolecularFormula | C22H26N4 |
| Smiles | C(CC(C1CCC2)/C2=N\Nc2ccccc2)C/C1=N/Nc1ccccc1 |
| InChI | InChI=1S/C22H26N4/c1-3-9-17(10-4-1)23-25-21-15-7-14-20-19(21)13-8-16-22(20)26-24-18-11-5-2-6-12-18/h1-6,9-12,19-20,23-24H,7-8,13-16H2/b25-21-,26-22? |
| InChIK | QPWBQKFQGBTMQA-ZVQFLJIASA-N |
| TotalMolweight | 346.476 |
| Molweight | 346.476 |
| MonoisotopicMass | 346.215746 |
| CLogP | 8.0606 |
| CLogS | -4.818 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 282.44 |
| Relative PSA | 0.16265 |
| PolarSurfaceArea | 48.78 |
| Druglikeness | -1.2394 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 15 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - N-[(Z)-[(5Z)-5-(phenylhydrazinylidene)-2,3,4,4a,6,7,8,8a-octahydronaphthalen-1-ylidene]amino]aniline | 2 - N-[(Z)-[(5Z)-5-(phenylhydrazinylidene)-2,3,4,4a,6,7,8,8a-octahydronaphthalen-1-ylidene]amino]aniline