6-chloro-N-[(E)-[(4-chlorophenyl)-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino]pyridin-2-amine
Formula:C18H10N4Cl3F3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
6-chloro-N-[(E)-[(4-chlorophenyl)-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino]pyridin-2-amine is not a drug-like molecule.
| MolName | 6-chloro-N-[(E)-[(4-chlorophenyl)-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino]pyridin-2-amine |
| MolecularFormula | C18H10N4Cl3F3 |
| Smiles | FC(c1cnc(/C(/c(cc2)ccc2Cl)=N/Nc2cccc(Cl)n2)c(Cl)c1)(F)F |
| InChI | InChI=1S/C18H10Cl3F3N4/c19-12-6-4-10(5-7-12)16(28-27-15-3-1-2-14(21)26-15)17-13(20)8-11(9-25-17)18(22,23)24/h1-9H,(H,26,27) |
| InChIK | HOGJZKDRNSHPCA-UHFFFAOYSA-N |
| TotalMolweight | 445.658 |
| Molweight | 445.658 |
| MonoisotopicMass | 443.992311 |
| CLogP | 7.2049 |
| CLogS | -6.633 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 300.45 |
| Relative PSA | 0.14948 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | -5.8939 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 6-chloro-N-[(E)-[(4-chlorophenyl)-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino]pyridin-2-amine | 2 - 6-chloro-N-[(E)-[(4-chlorophenyl)-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino]pyridin-2-amine
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