(Z)-1-phenyl-3-[[4-(trifluoromethyl)phenyl]methylamino]prop-2-en-1-one
Formula:C17H14NOF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-phenyl-3-[[4-(trifluoromethyl)phenyl]methylamino]prop-2-en-1-one is a drug-like molecule.
| MolName | (Z)-1-phenyl-3-[[4-(trifluoromethyl)phenyl]methylamino]prop-2-en-1-one |
| MolecularFormula | C17H14NOF3 |
| Smiles | O=C(/C=C\NCc1ccc(C(F)(F)F)cc1)c1ccccc1 |
| InChI | InChI=1S/C17H14F3NO/c18-17(19,20)15-8-6-13(7-9-15)12-21-11-10-16(22)14-4-2-1-3-5-14/h1-11,21H,12H2 |
| InChIK | HEQDGXJTCVUNCU-UHFFFAOYSA-N |
| TotalMolweight | 305.298 |
| Molweight | 305.298 |
| MonoisotopicMass | 305.102748 |
| CLogP | 3.0322 |
| CLogS | -4.38 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 231.95 |
| Relative PSA | 0.10563 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -6.08 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
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