(E)-3-[3,5-bis(trifluoromethyl)anilino]-1-(4-chlorophenyl)prop-2-en-1-one
Formula:C17H10NOClF6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[3,5-bis(trifluoromethyl)anilino]-1-(4-chlorophenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-[3,5-bis(trifluoromethyl)anilino]-1-(4-chlorophenyl)prop-2-en-1-one |
| MolecularFormula | C17H10NOClF6 |
| Smiles | O=C(/C=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c(cc1)ccc1Cl |
| InChI | InChI=1S/C17H10ClF6NO/c18-13-3-1-10(2-4-13)15(26)5-6-25-14-8-11(16(19,20)21)7-12(9-14)17(22,23)24/h1-9,25H |
| InChIK | LHTFXOBLFBUHPY-UHFFFAOYSA-N |
| TotalMolweight | 393.713 |
| Molweight | 393.713 |
| MonoisotopicMass | 393.035509 |
| CLogP | 4.7771 |
| CLogS | -6.078 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 263.07 |
| Relative PSA | 0.093131 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -6.532 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 10 |
| StereoCon |
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