(E)-3-anilino-1,5-diphenylpent-2-en-1-one
Formula:C23H21NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-anilino-1,5-diphenylpent-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-anilino-1,5-diphenylpent-2-en-1-one |
| MolecularFormula | C23H21NO |
| Smiles | O=C(/C=C(\CCc1ccccc1)/Nc1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C23H21NO/c25-23(20-12-6-2-7-13-20)18-22(24-21-14-8-3-9-15-21)17-16-19-10-4-1-5-11-19/h1-15,18,24H,16-17H2 |
| InChIK | PBHMURUOPLJLGA-UHFFFAOYSA-N |
| TotalMolweight | 327.426 |
| Molweight | 327.426 |
| MonoisotopicMass | 327.162314 |
| CLogP | 5.5794 |
| CLogS | -5.447 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 274.22 |
| Relative PSA | 0.089344 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | 0.58006 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
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