(3Z)-3-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methylidene]-1H-indol-2-one
Formula:C22H14NO2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(3Z)-3-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3Z)-3-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methylidene]-1H-indol-2-one |
| MolecularFormula | C22H14NO2F3 |
| Smiles | O=C1Nc(cccc2)c2/C1=C/c1cccc(Oc2cccc(C(F)(F)F)c2)c1 |
| InChI | InChI=1S/C22H14F3NO2/c23-22(24,25)15-6-4-8-17(13-15)28-16-7-3-5-14(11-16)12-19-18-9-1-2-10-20(18)26-21(19)27/h1-13H,(H,26,27) |
| InChIK | UQQUVWRUBQFMFA-UHFFFAOYSA-N |
| TotalMolweight | 381.352 |
| Molweight | 381.352 |
| MonoisotopicMass | 381.097663 |
| CLogP | 4.5096 |
| CLogS | -6.444 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 272.66 |
| Relative PSA | 0.12653 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | -4.5484 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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