(3Z)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one
Formula:C15H8NO2Br2I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(3Z)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one is not a drug-like molecule.
| MolName | (3Z)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one |
| MolecularFormula | C15H8NO2Br2I |
| Smiles | Oc(c(Br)cc(/C=C(/c(cc(cc1)I)c1N1)\C1=O)c1)c1Br |
| InChI | InChI=1S/C15H8Br2INO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,20H,(H,19,21) |
| InChIK | LMXYVLFTZRPNRV-UHFFFAOYSA-N |
| TotalMolweight | 520.942 |
| Molweight | 520.942 |
| MonoisotopicMass | 518.796649 |
| CLogP | 3.8075 |
| CLogS | -5.757 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 243.33 |
| Relative PSA | 0.15452 |
| PolarSurfaceArea | 49.33 |
| Druglikeness | 1.4185 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - (3Z)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one | 2 - (3Z)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one
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