(3E)-3-[(6-phenoxypyridin-3-yl)methylidene]-1H-indol-2-one
Formula:C20H14N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-[(6-phenoxypyridin-3-yl)methylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3E)-3-[(6-phenoxypyridin-3-yl)methylidene]-1H-indol-2-one |
| MolecularFormula | C20H14N2O2 |
| Smiles | O=C1Nc(cccc2)c2/C1=C\c(cc1)cnc1Oc1ccccc1 |
| InChI | InChI=1S/C20H14N2O2/c23-20-17(16-8-4-5-9-18(16)22-20)12-14-10-11-19(21-13-14)24-15-6-2-1-3-7-15/h1-13H,(H,22,23) |
| InChIK | ZIACMHDMPIRIEN-UHFFFAOYSA-N |
| TotalMolweight | 314.343 |
| Molweight | 314.343 |
| MonoisotopicMass | 314.105528 |
| CLogP | 3.0118 |
| CLogS | -5.396 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 241.96 |
| Relative PSA | 0.18792 |
| PolarSurfaceArea | 51.22 |
| Druglikeness | 2.6416 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (3E)-3-[(6-phenoxypyridin-3-yl)methylidene]-1H-indol-2-one | 2 - (3E)-3-[(6-phenoxypyridin-3-yl)methylidene]-1H-indol-2-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off