(3Z)-3-[[5-bromo-2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1H-indol-2-one
Formula:C22H15NO2BrF
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
(3Z)-3-[[5-bromo-2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3Z)-3-[[5-bromo-2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1H-indol-2-one |
| MolecularFormula | C22H15NO2BrF |
| Smiles | O=C1Nc(cccc2)c2/C1=C/c(cc(cc1)Br)c1OCc1cc(F)ccc1 |
| InChI | InChI=1S/C22H15BrFNO2/c23-16-8-9-21(27-13-14-4-3-5-17(24)10-14)15(11-16)12-19-18-6-1-2-7-20(18)25-22(19)26/h1-12H,13H2,(H,25,26) |
| InChIK | SBCRLEMCIOQBPN-UHFFFAOYSA-N |
| TotalMolweight | 424.268 |
| Molweight | 424.268 |
| MonoisotopicMass | 423.027018 |
| CLogP | 4.4398 |
| CLogS | -5.858 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 281.94 |
| Relative PSA | 0.12237 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | -0.70633 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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