(E)-1-(4-chlorophenyl)-3-[4-(trifluoromethyl)anilino]prop-2-en-1-one
Formula:C16H11NOClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-chlorophenyl)-3-[4-(trifluoromethyl)anilino]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(4-chlorophenyl)-3-[4-(trifluoromethyl)anilino]prop-2-en-1-one |
| MolecularFormula | C16H11NOClF3 |
| Smiles | O=C(/C=C/Nc1ccc(C(F)(F)F)cc1)c(cc1)ccc1Cl |
| InChI | InChI=1S/C16H11ClF3NO/c17-13-5-1-11(2-6-13)15(22)9-10-21-14-7-3-12(4-8-14)16(18,19)20/h1-10,21H |
| InChIK | PVEUNPJUYVWEFX-UHFFFAOYSA-N |
| TotalMolweight | 325.716 |
| Molweight | 325.716 |
| MonoisotopicMass | 325.048125 |
| CLogP | 3.9288 |
| CLogS | -5.3 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 233.61 |
| Relative PSA | 0.10488 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -6.532 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
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