N-[(Z)-thiophen-3-ylmethylideneamino]-4-(trifluoromethyl)aniline
Formula:C12H9N2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-thiophen-3-ylmethylideneamino]-4-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | N-[(Z)-thiophen-3-ylmethylideneamino]-4-(trifluoromethyl)aniline |
| MolecularFormula | C12H9N2F3S |
| Smiles | FC(c(cc1)ccc1N/N=C\c1cscc1)(F)F |
| InChI | InChI=1S/C12H9F3N2S/c13-12(14,15)10-1-3-11(4-2-10)17-16-7-9-5-6-18-8-9/h1-8,17H |
| InChIK | OSXWNQQDZFREEO-UHFFFAOYSA-N |
| TotalMolweight | 270.277 |
| Molweight | 270.277 |
| MonoisotopicMass | 270.043852 |
| CLogP | 5.4736 |
| CLogS | -3.827 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 194.64 |
| Relative PSA | 0.22262 |
| PolarSurfaceArea | 52.63 |
| Druglikeness | -4.3443 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - N-[(Z)-thiophen-3-ylmethylideneamino]-4-(trifluoromethyl)aniline | 2 - N-[(Z)-thiophen-3-ylmethylideneamino]-4-(trifluoromethyl)aniline
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