(3E)-3-[(2,5-difluorophenyl)methylidene]-1H-indol-2-one
Formula:C15H9NOF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(3E)-3-[(2,5-difluorophenyl)methylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3E)-3-[(2,5-difluorophenyl)methylidene]-1H-indol-2-one |
| MolecularFormula | C15H9NOF2 |
| Smiles | O=C1Nc(cccc2)c2/C1=C\c(cc(cc1)F)c1F |
| InChI | InChI=1S/C15H9F2NO/c16-10-5-6-13(17)9(7-10)8-12-11-3-1-2-4-14(11)18-15(12)19/h1-8H,(H,18,19) |
| InChIK | SUPIIZABGFIOKG-UHFFFAOYSA-N |
| TotalMolweight | 257.238 |
| Molweight | 257.238 |
| MonoisotopicMass | 257.06522 |
| CLogP | 2.4673 |
| CLogS | -3.997 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 186.14 |
| Relative PSA | 0.13162 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | 1.362 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Amides | 1 |
| StereoCon |
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