(3Z)-3-[[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one
Formula:C20H10NO2Cl2F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(3Z)-3-[[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one is not a drug-like molecule.
| MolName | (3Z)-3-[[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one |
| MolecularFormula | C20H10NO2Cl2F3 |
| Smiles | O=C1Nc(cccc2)c2/C1=C/c1ccc(-c(c(Cl)cc(C(F)(F)F)c2)c2Cl)o1 |
| InChI | InChI=1S/C20H10Cl2F3NO2/c21-14-7-10(20(23,24)25)8-15(22)18(14)17-6-5-11(28-17)9-13-12-3-1-2-4-16(12)26-19(13)27/h1-9H,(H,26,27) |
| InChIK | YWPPXQGIMBTYQU-UHFFFAOYSA-N |
| TotalMolweight | 424.204 |
| Molweight | 424.204 |
| MonoisotopicMass | 423.004067 |
| CLogP | 5.2649 |
| CLogS | -7.079 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 283.19 |
| Relative PSA | 0.13634 |
| PolarSurfaceArea | 42.24 |
| Druglikeness | -3.4851 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - (3Z)-3-[[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one | 2 - (3Z)-3-[[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one
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