2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]isoindole-1,3-dione
Formula:C16H10N2O3F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]isoindole-1,3-dione is a drug-like molecule.
| MolName | 2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]isoindole-1,3-dione |
| MolecularFormula | C16H10N2O3F2 |
| Smiles | O=C(c(cccc1)c1C1=O)N1/N=C\c(cc1)ccc1OC(F)F |
| InChI | InChI=1S/C16H10F2N2O3/c17-16(18)23-11-7-5-10(6-8-11)9-19-20-14(21)12-3-1-2-4-13(12)15(20)22/h1-9,16H |
| InChIK | VHFUUIQQNQOZAL-UHFFFAOYSA-N |
| TotalMolweight | 316.262 |
| Molweight | 316.262 |
| MonoisotopicMass | 316.065949 |
| CLogP | 2.8211 |
| CLogS | -4.204 |
| H Acceptors | 5 |
| TotalSurfaceArea | 225.28 |
| Relative PSA | 0.22701 |
| PolarSurfaceArea | 58.97 |
| Druglikeness | 0.91771 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| StereoCon |
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1 - 2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]isoindole-1,3-dione | 2 - 2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]isoindole-1,3-dione
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