4-[(E)-2-phenylethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
Formula:C13H9N2OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(E)-2-phenylethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one is a drug-like molecule.
| MolName | 4-[(E)-2-phenylethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one |
| MolecularFormula | C13H9N2OF3 |
| Smiles | O=C1N=C(/C=C/c2ccccc2)C=C(C(F)(F)F)N1 |
| InChI | InChI=1S/C13H9F3N2O/c14-13(15,16)11-8-10(17-12(19)18-11)7-6-9-4-2-1-3-5-9/h1-8H,(H,17,18,19) |
| InChIK | RELDXDDLPBWBDF-UHFFFAOYSA-N |
| TotalMolweight | 266.221 |
| Molweight | 266.221 |
| MonoisotopicMass | 266.066697 |
| CLogP | 2.8262 |
| CLogS | -4.299 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 192.61 |
| Relative PSA | 0.18696 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | -5.4793 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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