| MolName | (3E)-3-[[1-[2-(4-fluorophenoxy)ethyl]indol-3-yl]methylidene]-1H-indol-2-one |
| MolecularFormula | C25H19N2O2F |
| Smiles | O=C1Nc(cccc2)c2/C1=C\c1cn(CCOc(cc2)ccc2F)c2c1cccc2 |
| InChI | InChI=1S/C25H19FN2O2/c26-18-9-11-19(12-10-18)30-14-13-28-16-17(20-5-2-4-8-24(20)28)15-22-21-6-1-3-7-23(21)27-25(22)29/h1-12,15-16H,13-14H2,(H,27,29) |
| InChIK | HXDCPWAHCBRNFC-UHFFFAOYSA-N |
| TotalMolweight | 398.436 |
| Molweight | 398.436 |
| MonoisotopicMass | 398.143056 |
| CLogP | 3.8134 |
| CLogS | -4.826 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 300.87 |
| Relative PSA | 0.1375 |
| PolarSurfaceArea | 43.26 |
| Druglikeness | 3.262 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (3E)-3-[[1-[2-(4-fluorophenoxy)ethyl]indol-3-yl]methylidene]-1H-indol-2-one | 2 - (3E)-3-[[1-[2-(4-fluorophenoxy)ethyl]indol-3-yl]methylidene]-1H-indol-2-one