(E)-3-[4-(N-phenylanilino)phenyl]-1-pyridin-3-ylprop-2-en-1-one
Formula:C26H20N2O
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(E)-3-[4-(N-phenylanilino)phenyl]-1-pyridin-3-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-[4-(N-phenylanilino)phenyl]-1-pyridin-3-ylprop-2-en-1-one |
| MolecularFormula | C26H20N2O |
| Smiles | O=C(/C=C/c(cc1)ccc1N(c1ccccc1)c1ccccc1)c1cnccc1 |
| InChI | InChI=1S/C26H20N2O/c29-26(22-8-7-19-27-20-22)18-15-21-13-16-25(17-14-21)28(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-20H |
| InChIK | IVDXEPITUWEUJD-UHFFFAOYSA-N |
| TotalMolweight | 376.458 |
| Molweight | 376.458 |
| MonoisotopicMass | 376.157563 |
| CLogP | 4.8973 |
| CLogS | -7.221 |
| H Acceptors | 3 |
| TotalSurfaceArea | 305.85 |
| Relative PSA | 0.09011 |
| PolarSurfaceArea | 33.2 |
| Druglikeness | 1.4414 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 10 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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