2-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]isoindole-1,3-dione
Formula:C16H9N2O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]isoindole-1,3-dione is a drug-like molecule.
| MolName | 2-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]isoindole-1,3-dione |
| MolecularFormula | C16H9N2O2F3 |
| Smiles | O=C(c(cccc1)c1C1=O)N1/N=C\c1cccc(C(F)(F)F)c1 |
| InChI | InChI=1S/C16H9F3N2O2/c17-16(18,19)11-5-3-4-10(8-11)9-20-21-14(22)12-6-1-2-7-13(12)15(21)23/h1-9H |
| InChIK | XEEUBSBUWKXLEL-UHFFFAOYSA-N |
| TotalMolweight | 318.253 |
| Molweight | 318.253 |
| MonoisotopicMass | 318.061612 |
| CLogP | 3.5 |
| CLogS | -4.36 |
| H Acceptors | 4 |
| TotalSurfaceArea | 219.54 |
| Relative PSA | 0.18739 |
| PolarSurfaceArea | 49.74 |
| Druglikeness | -3.3475 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 7 |
| StereoCon |
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1 - 2-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]isoindole-1,3-dione | 2 - 2-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]isoindole-1,3-dione
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