(3Z)-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylidene]-1H-indol-2-one
Formula:C17H12NO3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(3Z)-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3Z)-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylidene]-1H-indol-2-one |
| MolecularFormula | C17H12NO3F |
| Smiles | O=C1Nc(cccc2)c2/C1=C/c1c2OCOCc2cc(F)c1 |
| InChI | InChI=1S/C17H12FNO3/c18-12-5-10(16-11(6-12)8-21-9-22-16)7-14-13-3-1-2-4-15(13)19-17(14)20/h1-7H,8-9H2,(H,19,20) |
| InChIK | FYRCXVPDOPYMHC-UHFFFAOYSA-N |
| TotalMolweight | 297.284 |
| Molweight | 297.284 |
| MonoisotopicMass | 297.080122 |
| CLogP | 1.8614 |
| CLogS | -4.388 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 213.81 |
| Relative PSA | 0.20813 |
| PolarSurfaceArea | 47.56 |
| Druglikeness | 1.0556 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (3Z)-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylidene]-1H-indol-2-one | 2 - (3Z)-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylidene]-1H-indol-2-one
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