2-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]isoindole-1,3-dione
Formula:C17H12N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]isoindole-1,3-dione is a drug-like molecule.
| MolName | 2-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]isoindole-1,3-dione |
| MolecularFormula | C17H12N2O2 |
| Smiles | O=C(c(cccc1)c1C1=O)N1/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C17H12N2O2/c20-16-14-10-4-5-11-15(14)17(21)19(16)18-12-6-9-13-7-2-1-3-8-13/h1-12H |
| InChIK | HDSHHVQNQMIVNO-UHFFFAOYSA-N |
| TotalMolweight | 276.294 |
| Molweight | 276.294 |
| MonoisotopicMass | 276.089878 |
| CLogP | 2.67 |
| CLogS | -3.874 |
| H Acceptors | 4 |
| TotalSurfaceArea | 216.58 |
| Relative PSA | 0.18995 |
| PolarSurfaceArea | 49.74 |
| Druglikeness | 3.8298 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 7 |
| StereoCon |
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