2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-quinolin-4-one
Formula:C18H12NOF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-quinolin-4-one is a drug-like molecule.
| MolName | 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-quinolin-4-one |
| MolecularFormula | C18H12NOF3 |
| Smiles | O=C1c(cccc2)c2NC(/C=C/c2ccc(C(F)(F)F)cc2)=C1 |
| InChI | InChI=1S/C18H12F3NO/c19-18(20,21)13-8-5-12(6-9-13)7-10-14-11-17(23)15-3-1-2-4-16(15)22-14/h1-11H,(H,22,23) |
| InChIK | CFQJMSIJZRSPPM-UHFFFAOYSA-N |
| TotalMolweight | 315.293 |
| Molweight | 315.293 |
| MonoisotopicMass | 315.087098 |
| CLogP | 4.1492 |
| CLogS | -5.274 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 229.4 |
| Relative PSA | 0.1068 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -5.66 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-quinolin-4-one | 2 - 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-quinolin-4-one
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