6-[(E)-2-phenylethenyl]-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one
Formula:C20H15N2OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-[(E)-2-phenylethenyl]-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one is a drug-like molecule.
| MolName | 6-[(E)-2-phenylethenyl]-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one |
| MolecularFormula | C20H15N2OF3 |
| Smiles | O=C1N(Cc2cccc(C(F)(F)F)c2)N=C(/C=C/c2ccccc2)C=C1 |
| InChI | InChI=1S/C20H15F3N2O/c21-20(22,23)17-8-4-7-16(13-17)14-25-19(26)12-11-18(24-25)10-9-15-5-2-1-3-6-15/h1-13H,14H2 |
| InChIK | NHGHKIONPSKYMD-UHFFFAOYSA-N |
| TotalMolweight | 356.346 |
| Molweight | 356.346 |
| MonoisotopicMass | 356.113647 |
| CLogP | 3.9723 |
| CLogS | -4.511 |
| H Acceptors | 3 |
| TotalSurfaceArea | 266.76 |
| Relative PSA | 0.10534 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | -4.53 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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