3-chloro-N-[(Z)-[(4-chlorophenyl)-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino]-5-(trifluoromethyl)pyridin-2-amine
Formula:C19H9N4Cl3F6
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
3-chloro-N-[(Z)-[(4-chlorophenyl)-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino]-5-(trifluoromethyl)pyridin-2-amine is not a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-[(4-chlorophenyl)-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino]-5-(trifluoromethyl)pyridin-2-amine |
| MolecularFormula | C19H9N4Cl3F6 |
| Smiles | FC(c1cnc(/C(/c(cc2)ccc2Cl)=N\Nc(ncc(C(F)(F)F)c2)c2Cl)c(Cl)c1)(F)F |
| InChI | InChI=1S/C19H9Cl3F6N4/c20-12-3-1-9(2-4-12)15(16-13(21)5-10(7-29-16)18(23,24)25)31-32-17-14(22)6-11(8-30-17)19(26,27)28/h1-8H,(H,30,32) |
| InChIK | SJDOGEXEJQXTRZ-UHFFFAOYSA-N |
| TotalMolweight | 513.655 |
| Molweight | 513.655 |
| MonoisotopicMass | 511.979695 |
| CLogP | 7.9558 |
| CLogS | -7.648 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 329.91 |
| Relative PSA | 0.13613 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | -5.8939 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 3-chloro-N-[(Z)-[(4-chlorophenyl)-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino]-5-(trifluoromethyl)pyridin-2-amine | 2 - 3-chloro-N-[(Z)-[(4-chlorophenyl)-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino]-5-(trifluoromethyl)pyridin-2-amine
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