(3E)-3-[[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1H-indol-2-one
Formula:C26H18NO2Br
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
(3E)-3-[[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1H-indol-2-one is not a drug-like molecule.
| MolName | (3E)-3-[[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1H-indol-2-one |
| MolecularFormula | C26H18NO2Br |
| Smiles | O=C1Nc(cccc2)c2/C1=C\c(cc1)cc(Br)c1OCc1cccc2ccccc12 |
| InChI | InChI=1S/C26H18BrNO2/c27-23-15-17(14-22-21-10-3-4-11-24(21)28-26(22)29)12-13-25(23)30-16-19-8-5-7-18-6-1-2-9-20(18)19/h1-15H,16H2,(H,28,29) |
| InChIK | YHLGBCDINPYIPF-UHFFFAOYSA-N |
| TotalMolweight | 456.338 |
| Molweight | 456.338 |
| MonoisotopicMass | 455.05209 |
| CLogP | 5.5334 |
| CLogS | -7.15 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 310.19 |
| Relative PSA | 0.11122 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | 0.63367 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (3E)-3-[[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1H-indol-2-one | 2 - (3E)-3-[[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1H-indol-2-one
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