| MolName | (3E)-3-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1H-indol-2-one |
| MolecularFormula | C26H19NO2 |
| Smiles | O=C1Nc(cccc2)c2/C1=C\c(cc1)ccc1OCc1cccc2ccccc12 |
| InChI | InChI=1S/C26H19NO2/c28-26-24(23-10-3-4-11-25(23)27-26)16-18-12-14-21(15-13-18)29-17-20-8-5-7-19-6-1-2-9-22(19)20/h1-16H,17H2,(H,27,28) |
| InChIK | XQNHNTZOFKZFPX-UHFFFAOYSA-N |
| TotalMolweight | 377.442 |
| Molweight | 377.442 |
| MonoisotopicMass | 377.141579 |
| CLogP | 4.8082 |
| CLogS | -6.316 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 291.56 |
| Relative PSA | 0.11833 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | 2.4237 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (3E)-3-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1H-indol-2-one | 2 - (3E)-3-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1H-indol-2-one