(E,4E)-1,4-diphenyl-4-(phenylhydrazinylidene)but-2-en-1-one
Formula:C22H18N2O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E,4E)-1,4-diphenyl-4-(phenylhydrazinylidene)but-2-en-1-one is not a drug-like molecule.
| MolName | (E,4E)-1,4-diphenyl-4-(phenylhydrazinylidene)but-2-en-1-one |
| MolecularFormula | C22H18N2O |
| Smiles | O=C(/C=C/C(/c1ccccc1)=N\Nc1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C22H18N2O/c25-22(19-12-6-2-7-13-19)17-16-21(18-10-4-1-5-11-18)24-23-20-14-8-3-9-15-20/h1-17,23H |
| InChIK | FYTQJBOKKJMFPY-UHFFFAOYSA-N |
| TotalMolweight | 326.398 |
| Molweight | 326.398 |
| MonoisotopicMass | 326.141913 |
| CLogP | 5.989 |
| CLogS | -5.137 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 271.46 |
| Relative PSA | 0.13265 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 2.1399 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| StereoCon |
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