3-chloro-N-[(Z)-(3-fluorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
Formula:C13H8N3ClF4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
3-chloro-N-[(Z)-(3-fluorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is not a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-(3-fluorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine |
| MolecularFormula | C13H8N3ClF4 |
| Smiles | FC(c1cc(Cl)c(N/N=C\c2cc(F)ccc2)nc1)(F)F |
| InChI | InChI=1S/C13H8ClF4N3/c14-11-5-9(13(16,17)18)7-19-12(11)21-20-6-8-2-1-3-10(15)4-8/h1-7H,(H,19,21) |
| InChIK | DWDCGDMMWWJTEE-UHFFFAOYSA-N |
| TotalMolweight | 317.673 |
| Molweight | 317.673 |
| MonoisotopicMass | 317.034286 |
| CLogP | 5.7465 |
| CLogS | -4.707 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 219.23 |
| Relative PSA | 0.15481 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | -4.8055 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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