(3Z)-5-bromo-3-[2-oxo-2-(4-phenylphenyl)ethylidene]-1H-indol-2-one
Formula:C22H14NO2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-5-bromo-3-[2-oxo-2-(4-phenylphenyl)ethylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3Z)-5-bromo-3-[2-oxo-2-(4-phenylphenyl)ethylidene]-1H-indol-2-one |
| MolecularFormula | C22H14NO2Br |
| Smiles | O=C(/C=C(/c(cc(cc1)Br)c1N1)\C1=O)c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C22H14BrNO2/c23-17-10-11-20-18(12-17)19(22(26)24-20)13-21(25)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H,(H,24,26) |
| InChIK | MKDPIUPQYCVONS-UHFFFAOYSA-N |
| TotalMolweight | 404.262 |
| Molweight | 404.262 |
| MonoisotopicMass | 403.02079 |
| CLogP | 4.0873 |
| CLogS | -6.377 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 269.58 |
| Relative PSA | 0.13925 |
| PolarSurfaceArea | 46.17 |
| Druglikeness | 1.4965 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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