N-[[(3E)-1,4-diphenyl-3-(phenylhydrazinylidene)butan-2-ylidene]amino]aniline
Formula:C28H26N4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[[(3E)-1,4-diphenyl-3-(phenylhydrazinylidene)butan-2-ylidene]amino]aniline is not a drug-like molecule.
| MolName | N-[[(3E)-1,4-diphenyl-3-(phenylhydrazinylidene)butan-2-ylidene]amino]aniline |
| MolecularFormula | C28H26N4 |
| Smiles | C(/C(/C(Cc1ccccc1)=NNc1ccccc1)=N\Nc1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C28H26N4/c1-5-13-23(14-6-1)21-27(31-29-25-17-9-3-10-18-25)28(22-24-15-7-2-8-16-24)32-30-26-19-11-4-12-20-26/h1-20,29-30H,21-22H2 |
| InChIK | KIVQHQYEIKVWGY-UHFFFAOYSA-N |
| TotalMolweight | 418.542 |
| Molweight | 418.542 |
| MonoisotopicMass | 418.215746 |
| CLogP | 9.1598 |
| CLogS | -5.516 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 348.92 |
| Relative PSA | 0.13166 |
| PolarSurfaceArea | 48.78 |
| Druglikeness | 1.6906 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.4375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| StereoCon |
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