(3E)-3-[(4-phenylphenyl)methylidene]-1H-indol-2-one
Formula:C21H15NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(3E)-3-[(4-phenylphenyl)methylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3E)-3-[(4-phenylphenyl)methylidene]-1H-indol-2-one |
| MolecularFormula | C21H15NO |
| Smiles | O=C1Nc(cccc2)c2/C1=C\c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C21H15NO/c23-21-19(18-8-4-5-9-20(18)22-21)14-15-10-12-17(13-11-15)16-6-2-1-3-7-16/h1-14H,(H,22,23) |
| InChIK | LWZNOKZIYKJXSM-UHFFFAOYSA-N |
| TotalMolweight | 297.356 |
| Molweight | 297.356 |
| MonoisotopicMass | 297.115364 |
| CLogP | 3.9249 |
| CLogS | -5.455 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 233.2 |
| Relative PSA | 0.10506 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | 2.702 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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