(3E)-3-[(3-phenoxythiophen-2-yl)methylidene]-1H-indol-2-one
Formula:C19H13NO2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-[(3-phenoxythiophen-2-yl)methylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3E)-3-[(3-phenoxythiophen-2-yl)methylidene]-1H-indol-2-one |
| MolecularFormula | C19H13NO2S |
| Smiles | O=C1Nc(cccc2)c2/C1=C\c(scc1)c1Oc1ccccc1 |
| InChI | InChI=1S/C19H13NO2S/c21-19-15(14-8-4-5-9-16(14)20-19)12-18-17(10-11-23-18)22-13-6-2-1-3-7-13/h1-12H,(H,20,21) |
| InChIK | ICPCADIGHHAYQE-UHFFFAOYSA-N |
| TotalMolweight | 319.383 |
| Molweight | 319.383 |
| MonoisotopicMass | 319.066699 |
| CLogP | 3.5279 |
| CLogS | -5.676 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 239.14 |
| Relative PSA | 0.22941 |
| PolarSurfaceArea | 66.57 |
| Druglikeness | 3.6472 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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