(3E)-3-[[4-(2-phenoxyethoxy)phenyl]methylidene]-1H-indol-2-one
Formula:C23H19NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(3E)-3-[[4-(2-phenoxyethoxy)phenyl]methylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3E)-3-[[4-(2-phenoxyethoxy)phenyl]methylidene]-1H-indol-2-one |
| MolecularFormula | C23H19NO3 |
| Smiles | O=C1Nc(cccc2)c2/C1=C\c(cc1)ccc1OCCOc1ccccc1 |
| InChI | InChI=1S/C23H19NO3/c25-23-21(20-8-4-5-9-22(20)24-23)16-17-10-12-19(13-11-17)27-15-14-26-18-6-2-1-3-7-18/h1-13,16H,14-15H2,(H,24,25) |
| InChIK | BXZUGQAORHBJTO-UHFFFAOYSA-N |
| TotalMolweight | 357.408 |
| Molweight | 357.408 |
| MonoisotopicMass | 357.136494 |
| CLogP | 3.6207 |
| CLogS | -4.637 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 280.72 |
| Relative PSA | 0.15852 |
| PolarSurfaceArea | 47.56 |
| Druglikeness | -4.4563 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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