(3E)-3-[(3,4-dichlorophenyl)methylidene]-1H-indol-2-one
Formula:C15H9NOCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(3E)-3-[(3,4-dichlorophenyl)methylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3E)-3-[(3,4-dichlorophenyl)methylidene]-1H-indol-2-one |
| MolecularFormula | C15H9NOCl2 |
| Smiles | O=C1Nc(cccc2)c2/C1=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C15H9Cl2NO/c16-12-6-5-9(8-13(12)17)7-11-10-3-1-2-4-14(10)18-15(11)19/h1-8H,(H,18,19) |
| InChIK | RCJZXLNWNCVIMJ-UHFFFAOYSA-N |
| TotalMolweight | 290.148 |
| Molweight | 290.148 |
| MonoisotopicMass | 289.006118 |
| CLogP | 3.4777 |
| CLogS | -4.841 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 204.28 |
| Relative PSA | 0.11993 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | 2.7491 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Amides | 1 |
| StereoCon |
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1 - (3E)-3-[(3,4-dichlorophenyl)methylidene]-1H-indol-2-one | 2 - (3E)-3-[(3,4-dichlorophenyl)methylidene]-1H-indol-2-one
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