2-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]isoindole-1,3-dione
Formula:C17H11N2O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]isoindole-1,3-dione is a drug-like molecule.
| MolName | 2-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]isoindole-1,3-dione |
| MolecularFormula | C17H11N2O2Cl |
| Smiles | O=C(c(cccc1)c1C1=O)N1/N=C\C(\Cl)=C\c1ccccc1 |
| InChI | InChI=1S/C17H11ClN2O2/c18-13(10-12-6-2-1-3-7-12)11-19-20-16(21)14-8-4-5-9-15(14)17(20)22/h1-11H |
| InChIK | LVOYBZIPXMXEJP-UHFFFAOYSA-N |
| TotalMolweight | 310.739 |
| Molweight | 310.739 |
| MonoisotopicMass | 310.050905 |
| CLogP | 3.1316 |
| CLogS | -4.565 |
| H Acceptors | 4 |
| TotalSurfaceArea | 230.21 |
| Relative PSA | 0.17871 |
| PolarSurfaceArea | 49.74 |
| Druglikeness | 4.0554 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 7 |
| StereoCon |
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1 - 2-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]isoindole-1,3-dione | 2 - 2-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]isoindole-1,3-dione
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