4-[(E)-2-(3-hydroxyphenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
Formula:C13H9N2O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(E)-2-(3-hydroxyphenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one is a drug-like molecule.
| MolName | 4-[(E)-2-(3-hydroxyphenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one |
| MolecularFormula | C13H9N2O2F3 |
| Smiles | Oc1cccc(/C=C/C(C=C(C(F)(F)F)N2)=NC2=O)c1 |
| InChI | InChI=1S/C13H9F3N2O2/c14-13(15,16)11-7-9(17-12(20)18-11)5-4-8-2-1-3-10(19)6-8/h1-7,19H,(H,17,18,20) |
| InChIK | YBRLDKZJMMARHX-UHFFFAOYSA-N |
| TotalMolweight | 282.22 |
| Molweight | 282.22 |
| MonoisotopicMass | 282.061612 |
| CLogP | 2.4805 |
| CLogS | -4.003 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 198.96 |
| Relative PSA | 0.24683 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | -5.4568 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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