(3E)-5-chloro-3-[[4-(difluoromethoxy)phenyl]methylidene]-1H-indol-2-one
Formula:C16H10NO2ClF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(3E)-5-chloro-3-[[4-(difluoromethoxy)phenyl]methylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3E)-5-chloro-3-[[4-(difluoromethoxy)phenyl]methylidene]-1H-indol-2-one |
| MolecularFormula | C16H10NO2ClF2 |
| Smiles | O=C1Nc(ccc(Cl)c2)c2/C1=C\c(cc1)ccc1OC(F)F |
| InChI | InChI=1S/C16H10ClF2NO2/c17-10-3-6-14-12(8-10)13(15(21)20-14)7-9-1-4-11(5-2-9)22-16(18)19/h1-8,16H,(H,20,21) |
| InChIK | BNVGBMDNDAJOKJ-UHFFFAOYSA-N |
| TotalMolweight | 321.709 |
| Molweight | 321.709 |
| MonoisotopicMass | 321.036812 |
| CLogP | 3.0411 |
| CLogS | -4.727 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 224.06 |
| Relative PSA | 0.15398 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | -0.061318 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| 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 | 3 |
| Amides | 1 |
| StereoCon |
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