2,6-dichloro-N-[(Z)-thiophen-2-ylmethylideneamino]-4-(trifluoromethyl)aniline
Formula:C12H7N2Cl2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,6-dichloro-N-[(Z)-thiophen-2-ylmethylideneamino]-4-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | 2,6-dichloro-N-[(Z)-thiophen-2-ylmethylideneamino]-4-(trifluoromethyl)aniline |
| MolecularFormula | C12H7N2Cl2F3S |
| Smiles | FC(c(cc1Cl)cc(Cl)c1N/N=C\c1cccs1)(F)F |
| InChI | InChI=1S/C12H7Cl2F3N2S/c13-9-4-7(12(15,16)17)5-10(14)11(9)19-18-6-8-2-1-3-20-8/h1-6,19H |
| InChIK | QBXZOTKIRJAZQJ-UHFFFAOYSA-N |
| TotalMolweight | 339.168 |
| Molweight | 339.168 |
| MonoisotopicMass | 337.965906 |
| CLogP | 6.7678 |
| CLogS | -5.409 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 225.48 |
| Relative PSA | 0.19217 |
| PolarSurfaceArea | 52.63 |
| Druglikeness | -3.0688 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| StereoCon |
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