4-[(E)-2-(3-phenoxyphenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
Formula:C19H13N2O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(E)-2-(3-phenoxyphenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one is a drug-like molecule.
| MolName | 4-[(E)-2-(3-phenoxyphenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one |
| MolecularFormula | C19H13N2O2F3 |
| Smiles | O=C1N=C(/C=C/c2cc(Oc3ccccc3)ccc2)C=C(C(F)(F)F)N1 |
| InChI | InChI=1S/C19H13F3N2O2/c20-19(21,22)17-12-14(23-18(25)24-17)10-9-13-5-4-8-16(11-13)26-15-6-2-1-3-7-15/h1-12H,(H,23,24,25) |
| InChIK | SUKVZEYNCCNBLU-UHFFFAOYSA-N |
| TotalMolweight | 358.318 |
| Molweight | 358.318 |
| MonoisotopicMass | 358.092912 |
| CLogP | 4.2218 |
| CLogS | -6.596 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 262.37 |
| Relative PSA | 0.17536 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -5.4895 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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