2-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]isoindole-1,3-dione
Formula:C22H15N2O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]isoindole-1,3-dione is a drug-like molecule.
| MolName | 2-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]isoindole-1,3-dione |
| MolecularFormula | C22H15N2O3F |
| Smiles | O=C(c(cccc1)c1C1=O)N1/N=C\c(cc1)ccc1OCc(cc1)ccc1F |
| InChI | InChI=1S/C22H15FN2O3/c23-17-9-5-16(6-10-17)14-28-18-11-7-15(8-12-18)13-24-25-21(26)19-3-1-2-4-20(19)22(25)27/h1-13H,14H2 |
| InChIK | XDWPTUXKNZBAKX-UHFFFAOYSA-N |
| TotalMolweight | 374.37 |
| Molweight | 374.37 |
| MonoisotopicMass | 374.106671 |
| CLogP | 4.1006 |
| CLogS | -5.237 |
| H Acceptors | 5 |
| TotalSurfaceArea | 279.95 |
| Relative PSA | 0.18268 |
| PolarSurfaceArea | 58.97 |
| Druglikeness | 2.0472 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 9 |
| StereoCon |
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1 - 2-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]isoindole-1,3-dione | 2 - 2-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]isoindole-1,3-dione
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