2-[(Z)-(3-phenoxyphenyl)methylideneamino]isoindole-1,3-dione
Formula:C21H14N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(3-phenoxyphenyl)methylideneamino]isoindole-1,3-dione is a drug-like molecule.
| MolName | 2-[(Z)-(3-phenoxyphenyl)methylideneamino]isoindole-1,3-dione |
| MolecularFormula | C21H14N2O3 |
| Smiles | O=C(c(cccc1)c1C1=O)N1/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C21H14N2O3/c24-20-18-11-4-5-12-19(18)21(25)23(20)22-14-15-7-6-10-17(13-15)26-16-8-2-1-3-9-16/h1-14H |
| InChIK | JKQZZFPBJCAUMU-UHFFFAOYSA-N |
| TotalMolweight | 342.353 |
| Molweight | 342.353 |
| MonoisotopicMass | 342.100443 |
| CLogP | 4.0473 |
| CLogS | -5.879 |
| H Acceptors | 5 |
| TotalSurfaceArea | 259.84 |
| Relative PSA | 0.19681 |
| PolarSurfaceArea | 58.97 |
| Druglikeness | 3.6919 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 7 |
| StereoCon |
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1 - 2-[(Z)-(3-phenoxyphenyl)methylideneamino]isoindole-1,3-dione | 2 - 2-[(Z)-(3-phenoxyphenyl)methylideneamino]isoindole-1,3-dione
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