(E)-1-(4-phenylphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-en-1-one
Formula:C26H23N2OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-phenylphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-(4-phenylphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-en-1-one |
| MolecularFormula | C26H23N2OF3 |
| Smiles | O=C(/C=C/N(CC1)CCN1c1cccc(C(F)(F)F)c1)c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C26H23F3N2O/c27-26(28,29)23-7-4-8-24(19-23)31-17-15-30(16-18-31)14-13-25(32)22-11-9-21(10-12-22)20-5-2-1-3-6-20/h1-14,19H,15-18H2 |
| InChIK | NLVUVQWIHDMUQA-UHFFFAOYSA-N |
| TotalMolweight | 436.476 |
| Molweight | 436.476 |
| MonoisotopicMass | 436.176247 |
| CLogP | 5.1134 |
| CLogS | -6.195 |
| H Acceptors | 3 |
| TotalSurfaceArea | 328.63 |
| Relative PSA | 0.061285 |
| PolarSurfaceArea | 23.55 |
| Druglikeness | -1.9887 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 8 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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