(3Z)-3-[[2-bromo-5-(difluoromethoxy)phenyl]methylidene]-1H-indol-2-one
Formula:C16H10NO2BrF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(3Z)-3-[[2-bromo-5-(difluoromethoxy)phenyl]methylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3Z)-3-[[2-bromo-5-(difluoromethoxy)phenyl]methylidene]-1H-indol-2-one |
| MolecularFormula | C16H10NO2BrF2 |
| Smiles | O=C1Nc(cccc2)c2/C1=C/c(cc(cc1)OC(F)F)c1Br |
| InChI | InChI=1S/C16H10BrF2NO2/c17-13-6-5-10(22-16(18)19)7-9(13)8-12-11-3-1-2-4-14(11)20-15(12)21/h1-8,16H,(H,20,21) |
| InChIK | CKGIOXSFVBYCSE-UHFFFAOYSA-N |
| TotalMolweight | 366.16 |
| Molweight | 366.16 |
| MonoisotopicMass | 364.986296 |
| CLogP | 3.1603 |
| CLogS | -4.825 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 227.27 |
| Relative PSA | 0.1518 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | -1.9035 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - (3Z)-3-[[2-bromo-5-(difluoromethoxy)phenyl]methylidene]-1H-indol-2-one | 2 - (3Z)-3-[[2-bromo-5-(difluoromethoxy)phenyl]methylidene]-1H-indol-2-one
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