3-chloro-N-[(Z)-thiophen-2-ylmethylideneamino]-5-(trifluoromethyl)pyridin-2-amine
Formula:C11H7N3ClF3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
3-chloro-N-[(Z)-thiophen-2-ylmethylideneamino]-5-(trifluoromethyl)pyridin-2-amine is not a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-thiophen-2-ylmethylideneamino]-5-(trifluoromethyl)pyridin-2-amine |
| MolecularFormula | C11H7N3ClF3S |
| Smiles | FC(c1cc(Cl)c(N/N=C\c2cccs2)nc1)(F)F |
| InChI | InChI=1S/C11H7ClF3N3S/c12-9-4-7(11(13,14)15)5-16-10(9)18-17-6-8-2-1-3-19-8/h1-6H,(H,16,18) |
| InChIK | WQMLFEXRQCTTFX-UHFFFAOYSA-N |
| TotalMolweight | 305.711 |
| Molweight | 305.711 |
| MonoisotopicMass | 305.000128 |
| CLogP | 5.5123 |
| CLogS | -4.403 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 208.82 |
| Relative PSA | 0.26003 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | -3.0688 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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