6-(trifluoromethyl)-4-[(E)-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]-1H-pyrimidin-2-one
Formula:C18H10N2O2F6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
6-(trifluoromethyl)-4-[(E)-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]-1H-pyrimidin-2-one is a drug-like molecule.
| MolName | 6-(trifluoromethyl)-4-[(E)-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]-1H-pyrimidin-2-one |
| MolecularFormula | C18H10N2O2F6 |
| Smiles | O=C1N=C(/C=C/c2ccc(-c3cc(C(F)(F)F)ccc3)o2)C=C(C(F)(F)F)N1 |
| InChI | InChI=1S/C18H10F6N2O2/c19-17(20,21)11-3-1-2-10(8-11)14-7-6-13(28-14)5-4-12-9-15(18(22,23)24)26-16(27)25-12/h1-9H,(H,25,26,27) |
| InChIK | PMXUHAOCLAPTCA-UHFFFAOYSA-N |
| TotalMolweight | 400.277 |
| Molweight | 400.277 |
| MonoisotopicMass | 400.064646 |
| CLogP | 4.6134 |
| CLogS | -6.537 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 271.52 |
| Relative PSA | 0.18459 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | -4.3795 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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