(3E)-3-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1H-indol-2-one
Formula:C22H14NO2Cl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(3E)-3-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3E)-3-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1H-indol-2-one |
| MolecularFormula | C22H14NO2Cl2F |
| Smiles | O=C1Nc(cccc2)c2/C1=C\c(cc1Cl)cc(Cl)c1OCc(cccc1)c1F |
| InChI | InChI=1S/C22H14Cl2FNO2/c23-17-10-13(9-16-15-6-2-4-8-20(15)26-22(16)27)11-18(24)21(17)28-12-14-5-1-3-7-19(14)25/h1-11H,12H2,(H,26,27) |
| InChIK | IEPQENMABCSGCU-UHFFFAOYSA-N |
| TotalMolweight | 414.262 |
| Molweight | 414.262 |
| MonoisotopicMass | 413.038561 |
| CLogP | 4.9266 |
| CLogS | -6.496 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 294.15 |
| Relative PSA | 0.11729 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | 1.148 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| 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 | 3 |
| Amides | 1 |
| StereoCon |
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1 - (3E)-3-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1H-indol-2-one | 2 - (3E)-3-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1H-indol-2-one
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