2-[(Z)-(2,4-difluorophenyl)methylideneamino]isoindole-1,3-dione
Formula:C15H8N2O2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(2,4-difluorophenyl)methylideneamino]isoindole-1,3-dione is a drug-like molecule.
| MolName | 2-[(Z)-(2,4-difluorophenyl)methylideneamino]isoindole-1,3-dione |
| MolecularFormula | C15H8N2O2F2 |
| Smiles | O=C(c(cccc1)c1C1=O)N1/N=C\c(ccc(F)c1)c1F |
| InChI | InChI=1S/C15H8F2N2O2/c16-10-6-5-9(13(17)7-10)8-18-19-14(20)11-3-1-2-4-12(11)15(19)21/h1-8H |
| InChIK | LDVKVKOTSKAMLM-UHFFFAOYSA-N |
| TotalMolweight | 286.237 |
| Molweight | 286.237 |
| MonoisotopicMass | 286.055384 |
| CLogP | 2.8533 |
| CLogS | -4.21 |
| H Acceptors | 4 |
| TotalSurfaceArea | 202.78 |
| Relative PSA | 0.20288 |
| PolarSurfaceArea | 49.74 |
| Druglikeness | 2.5025 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - 2-[(Z)-(2,4-difluorophenyl)methylideneamino]isoindole-1,3-dione | 2 - 2-[(Z)-(2,4-difluorophenyl)methylideneamino]isoindole-1,3-dione
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