(E)-1-(1-benzofuran-2-yl)-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one
Formula:C29H21NO2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(E)-1-(1-benzofuran-2-yl)-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-(1-benzofuran-2-yl)-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one |
| MolecularFormula | C29H21NO2 |
| Smiles | O=C(/C=C/c(cc1)ccc1N(c1ccccc1)c1ccccc1)c1cc(cccc2)c2o1 |
| InChI | InChI=1S/C29H21NO2/c31-27(29-21-23-9-7-8-14-28(23)32-29)20-17-22-15-18-26(19-16-22)30(24-10-3-1-4-11-24)25-12-5-2-6-13-25/h1-21H |
| InChIK | VGLMCLJWUMEOPF-UHFFFAOYSA-N |
| TotalMolweight | 415.491 |
| Molweight | 415.491 |
| MonoisotopicMass | 415.157229 |
| CLogP | 6.4038 |
| CLogS | -9.199 |
| H Acceptors | 3 |
| TotalSurfaceArea | 331.38 |
| Relative PSA | 0.092643 |
| PolarSurfaceArea | 33.45 |
| Druglikeness | 2.002 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Symmetricatoms | 10 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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