(3Z)-3-[(3-bromothiophen-2-yl)methylidene]-1H-indol-2-one
Formula:C13H8NOBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-[(3-bromothiophen-2-yl)methylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3Z)-3-[(3-bromothiophen-2-yl)methylidene]-1H-indol-2-one |
| MolecularFormula | C13H8NOBrS |
| Smiles | O=C1Nc(cccc2)c2/C1=C/c(scc1)c1Br |
| InChI | InChI=1S/C13H8BrNOS/c14-10-5-6-17-12(10)7-9-8-3-1-2-4-11(8)15-13(9)16/h1-7H,(H,15,16) |
| InChIK | ZGCKMTQNGWQKEN-UHFFFAOYSA-N |
| TotalMolweight | 306.183 |
| Molweight | 306.183 |
| MonoisotopicMass | 304.950995 |
| CLogP | 2.8575 |
| CLogS | -4.213 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 188.01 |
| Relative PSA | 0.2386 |
| PolarSurfaceArea | 57.34 |
| Druglikeness | -1.6349 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Amides | 1 |
| StereoCon |
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