3,5-dichloro-N-[(Z)-[4-(trifluoromethoxy)phenyl]methylideneamino]pyridin-4-amine
Formula:C13H8N3OCl2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3,5-dichloro-N-[(Z)-[4-(trifluoromethoxy)phenyl]methylideneamino]pyridin-4-amine is not a drug-like molecule.
| MolName | 3,5-dichloro-N-[(Z)-[4-(trifluoromethoxy)phenyl]methylideneamino]pyridin-4-amine |
| MolecularFormula | C13H8N3OCl2F3 |
| Smiles | FC(Oc1ccc(/C=N\Nc(c(Cl)cnc2)c2Cl)cc1)(F)F |
| InChI | InChI=1S/C13H8Cl2F3N3O/c14-10-6-19-7-11(15)12(10)21-20-5-8-1-3-9(4-2-8)22-13(16,17)18/h1-7H,(H,19,21) |
| InChIK | DFGZCDWUOQTWLP-UHFFFAOYSA-N |
| TotalMolweight | 350.127 |
| Molweight | 350.127 |
| MonoisotopicMass | 348.99965 |
| CLogP | 6.151 |
| CLogS | -4.849 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 238.3 |
| Relative PSA | 0.18439 |
| PolarSurfaceArea | 46.51 |
| Druglikeness | -5.9608 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 7 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 3,5-dichloro-N-[(Z)-[4-(trifluoromethoxy)phenyl]methylideneamino]pyridin-4-amine | 2 - 3,5-dichloro-N-[(Z)-[4-(trifluoromethoxy)phenyl]methylideneamino]pyridin-4-amine
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