2-chloro-N-[(Z)-thiophen-2-ylmethylideneamino]-5-(trifluoromethyl)aniline
Formula:C12H8N2ClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-N-[(Z)-thiophen-2-ylmethylideneamino]-5-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | 2-chloro-N-[(Z)-thiophen-2-ylmethylideneamino]-5-(trifluoromethyl)aniline |
| MolecularFormula | C12H8N2ClF3S |
| Smiles | FC(c(cc1)cc(N/N=C\c2cccs2)c1Cl)(F)F |
| InChI | InChI=1S/C12H8ClF3N2S/c13-10-4-3-8(12(14,15)16)6-11(10)18-17-7-9-2-1-5-19-9/h1-7,18H |
| InChIK | ZWVAJJLZZLFDTO-UHFFFAOYSA-N |
| TotalMolweight | 304.723 |
| Molweight | 304.723 |
| MonoisotopicMass | 304.004879 |
| CLogP | 6.1618 |
| CLogS | -4.673 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 210.06 |
| Relative PSA | 0.20627 |
| PolarSurfaceArea | 52.63 |
| Druglikeness | -3.0688 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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