2-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]isoindole-1,3-dione
Formula:C22H16N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]isoindole-1,3-dione is a drug-like molecule.
| MolName | 2-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]isoindole-1,3-dione |
| MolecularFormula | C22H16N2O3 |
| Smiles | O=C(c(cccc1)c1C1=O)N1/N=C\c(cccc1)c1OCc1ccccc1 |
| InChI | InChI=1S/C22H16N2O3/c25-21-18-11-5-6-12-19(18)22(26)24(21)23-14-17-10-4-7-13-20(17)27-15-16-8-2-1-3-9-16/h1-14H,15H2 |
| InChIK | KTTWHHQEYORMLS-UHFFFAOYSA-N |
| TotalMolweight | 356.38 |
| Molweight | 356.38 |
| MonoisotopicMass | 356.116093 |
| CLogP | 3.9998 |
| CLogS | -4.923 |
| H Acceptors | 5 |
| TotalSurfaceArea | 273.6 |
| Relative PSA | 0.18692 |
| PolarSurfaceArea | 58.97 |
| Druglikeness | 3.3872 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| StereoCon |
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1 - 2-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]isoindole-1,3-dione | 2 - 2-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]isoindole-1,3-dione
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