(3E)-1,4-diphenyl-3-(phenylhydrazinylidene)butan-2-one
Formula:C22H20N2O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(3E)-1,4-diphenyl-3-(phenylhydrazinylidene)butan-2-one is not a drug-like molecule.
| MolName | (3E)-1,4-diphenyl-3-(phenylhydrazinylidene)butan-2-one |
| MolecularFormula | C22H20N2O |
| Smiles | O=C(Cc1ccccc1)/C(/Cc1ccccc1)=N/Nc1ccccc1 |
| InChI | InChI=1S/C22H20N2O/c25-22(17-19-12-6-2-7-13-19)21(16-18-10-4-1-5-11-18)24-23-20-14-8-3-9-15-20/h1-15,23H,16-17H2 |
| InChIK | YOCVIESOCFYSJA-UHFFFAOYSA-N |
| TotalMolweight | 328.414 |
| Molweight | 328.414 |
| MonoisotopicMass | 328.157563 |
| CLogP | 5.9118 |
| CLogS | -4.307 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 272.48 |
| Relative PSA | 0.13216 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 2.5122 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
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