3-chloro-N-[(Z)-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
Formula:C13H6N4Cl2F6
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
3-chloro-N-[(Z)-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is not a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine |
| MolecularFormula | C13H6N4Cl2F6 |
| Smiles | FC(c1cnc(/C=N\Nc(ncc(C(F)(F)F)c2)c2Cl)c(Cl)c1)(F)F |
| InChI | InChI=1S/C13H6Cl2F6N4/c14-8-1-6(12(16,17)18)3-22-10(8)5-24-25-11-9(15)2-7(4-23-11)13(19,20)21/h1-5H,(H,23,25) |
| InChIK | UNTOBQYLQFFRDS-UHFFFAOYSA-N |
| TotalMolweight | 403.113 |
| Molweight | 403.113 |
| MonoisotopicMass | 401.987368 |
| CLogP | 6.1531 |
| CLogS | -5.136 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 256.52 |
| Relative PSA | 0.17507 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | -4.8055 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 3-chloro-N-[(Z)-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine | 2 - 3-chloro-N-[(Z)-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
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