2-[[5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]methyl]isoindole-1,3-dione
Formula:C22H14N2O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[[5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]methyl]isoindole-1,3-dione is a drug-like molecule.
| MolName | 2-[[5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]methyl]isoindole-1,3-dione |
| MolecularFormula | C22H14N2O4 |
| Smiles | O=C1Nc(cccc2)c2/C1=C\c1ccc(CN(C(c2c3cccc2)=O)C3=O)o1 |
| InChI | InChI=1S/C22H14N2O4/c25-20-18(15-5-3-4-8-19(15)23-20)11-13-9-10-14(28-13)12-24-21(26)16-6-1-2-7-17(16)22(24)27/h1-11H,12H2,(H,23,25) |
| InChIK | KHKMXHVXIJRXBS-UHFFFAOYSA-N |
| TotalMolweight | 370.363 |
| Molweight | 370.363 |
| MonoisotopicMass | 370.095358 |
| CLogP | 2.2605 |
| CLogS | -4.407 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 268.95 |
| Relative PSA | 0.25373 |
| PolarSurfaceArea | 79.62 |
| Druglikeness | 5.6679 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon |
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1 - 2-[[5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]methyl]isoindole-1,3-dione | 2 - 2-[[5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]methyl]isoindole-1,3-dione
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