(3E)-3-(1-benzothiophen-3-ylmethylidene)-1H-indol-2-one
Formula:C17H11NOS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-(1-benzothiophen-3-ylmethylidene)-1H-indol-2-one is a drug-like molecule.
| MolName | (3E)-3-(1-benzothiophen-3-ylmethylidene)-1H-indol-2-one |
| MolecularFormula | C17H11NOS |
| Smiles | O=C1Nc(cccc2)c2/C1=C\c1csc2c1cccc2 |
| InChI | InChI=1S/C17H11NOS/c19-17-14(13-6-1-3-7-15(13)18-17)9-11-10-20-16-8-4-2-5-12(11)16/h1-10H,(H,18,19) |
| InChIK | AGEOPINNFIQAQG-UHFFFAOYSA-N |
| TotalMolweight | 277.346 |
| Molweight | 277.346 |
| MonoisotopicMass | 277.056134 |
| CLogP | 3.1047 |
| CLogS | -4.608 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 203.98 |
| Relative PSA | 0.21992 |
| PolarSurfaceArea | 57.34 |
| Druglikeness | 3.0185 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Amides | 1 |
| StereoCon |
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