(3Z)-3-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1H-indol-2-one
Formula:C19H11NO2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(3Z)-3-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3Z)-3-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1H-indol-2-one |
| MolecularFormula | C19H11NO2Cl2 |
| Smiles | O=C1Nc(cccc2)c2/C1=C/c1ccc(-c(cc2)cc(Cl)c2Cl)o1 |
| InChI | InChI=1S/C19H11Cl2NO2/c20-15-7-5-11(9-16(15)21)18-8-6-12(24-18)10-14-13-3-1-2-4-17(13)22-19(14)23/h1-10H,(H,22,23) |
| InChIK | PQVXTSAJGXUMCR-UHFFFAOYSA-N |
| TotalMolweight | 356.207 |
| Molweight | 356.207 |
| MonoisotopicMass | 355.016683 |
| CLogP | 4.4166 |
| CLogS | -6.301 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 253.73 |
| Relative PSA | 0.15217 |
| PolarSurfaceArea | 42.24 |
| Druglikeness | 3.7049 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Amides | 1 |
| StereoCon |
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1 - (3Z)-3-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1H-indol-2-one | 2 - (3Z)-3-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1H-indol-2-one
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