2-[(Z)-(3,4-dichlorophenyl)methylideneamino]isoindole-1,3-dione
Formula:C15H8N2O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(3,4-dichlorophenyl)methylideneamino]isoindole-1,3-dione is a drug-like molecule.
| MolName | 2-[(Z)-(3,4-dichlorophenyl)methylideneamino]isoindole-1,3-dione |
| MolecularFormula | C15H8N2O2Cl2 |
| Smiles | O=C(c(cccc1)c1C1=O)N1/N=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C15H8Cl2N2O2/c16-12-6-5-9(7-13(12)17)8-18-19-14(20)10-3-1-2-4-11(10)15(19)21/h1-8H |
| InChIK | OBTKBCXDCLPEKY-UHFFFAOYSA-N |
| TotalMolweight | 319.147 |
| Molweight | 319.147 |
| MonoisotopicMass | 317.996282 |
| CLogP | 3.8637 |
| CLogS | -5.054 |
| H Acceptors | 4 |
| TotalSurfaceArea | 220.92 |
| Relative PSA | 0.18622 |
| PolarSurfaceArea | 49.74 |
| Druglikeness | 3.8482 |
| 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)-(3,4-dichlorophenyl)methylideneamino]isoindole-1,3-dione | 2 - 2-[(Z)-(3,4-dichlorophenyl)methylideneamino]isoindole-1,3-dione
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