(3Z)-3-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1H-indol-2-one
Formula:C17H11NOS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3Z)-3-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1H-indol-2-one |
| MolecularFormula | C17H11NOS2 |
| Smiles | O=C1Nc(cccc2)c2/C1=C/c1ccc(-c2cccs2)s1 |
| InChI | InChI=1S/C17H11NOS2/c19-17-13(12-4-1-2-5-14(12)18-17)10-11-7-8-16(21-11)15-6-3-9-20-15/h1-10H,(H,18,19) |
| InChIK | FXSZWRDLPDUWGV-UHFFFAOYSA-N |
| TotalMolweight | 309.412 |
| Molweight | 309.412 |
| MonoisotopicMass | 309.028204 |
| CLogP | 4.0541 |
| CLogS | -5.407 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 225.08 |
| Relative PSA | 0.28976 |
| PolarSurfaceArea | 85.58 |
| Druglikeness | 4.5113 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Amides | 1 |
| StereoCon |
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