(3Z)-3-[[4-(trifluoromethoxy)phenyl]methylidene]-1H-indol-2-one
Formula:C16H10NO2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(3Z)-3-[[4-(trifluoromethoxy)phenyl]methylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3Z)-3-[[4-(trifluoromethoxy)phenyl]methylidene]-1H-indol-2-one |
| MolecularFormula | C16H10NO2F3 |
| Smiles | O=C1Nc(cccc2)c2/C1=C/c(cc1)ccc1OC(F)(F)F |
| InChI | InChI=1S/C16H10F3NO2/c17-16(18,19)22-11-7-5-10(6-8-11)9-13-12-3-1-2-4-14(12)20-15(13)21/h1-9H,(H,20,21) |
| InChIK | FJIYKLPGIXVSJX-UHFFFAOYSA-N |
| TotalMolweight | 305.254 |
| Molweight | 305.254 |
| MonoisotopicMass | 305.066363 |
| CLogP | 3.3647 |
| CLogS | -4.392 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 212.9 |
| Relative PSA | 0.16205 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | -5.3584 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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