(3E)-5-bromo-3-[2-(4-bromophenyl)-2-oxoethylidene]-1H-indol-2-one
Formula:C16H9NO2Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-5-bromo-3-[2-(4-bromophenyl)-2-oxoethylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3E)-5-bromo-3-[2-(4-bromophenyl)-2-oxoethylidene]-1H-indol-2-one |
| MolecularFormula | C16H9NO2Br2 |
| Smiles | O=C(/C=C(\c(cc(cc1)Br)c1N1)/C1=O)c(cc1)ccc1Br |
| InChI | InChI=1S/C16H9Br2NO2/c17-10-3-1-9(2-4-10)15(20)8-13-12-7-11(18)5-6-14(12)19-16(13)21/h1-8H,(H,19,21) |
| InChIK | KWROIPVAUVSGMX-UHFFFAOYSA-N |
| TotalMolweight | 407.06 |
| Molweight | 407.06 |
| MonoisotopicMass | 404.900001 |
| CLogP | 3.1533 |
| CLogS | -5.125 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 228.45 |
| Relative PSA | 0.16432 |
| PolarSurfaceArea | 46.17 |
| Druglikeness | 1.4965 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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