3-chloro-N-[(Z)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-phenylmethylidene]amino]-5-(trifluoromethyl)pyridin-2-amine
Formula:C19H10N4Cl2F6
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
3-chloro-N-[(Z)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-phenylmethylidene]amino]-5-(trifluoromethyl)pyridin-2-amine is not a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-phenylmethylidene]amino]-5-(trifluoromethyl)pyridin-2-amine |
| MolecularFormula | C19H10N4Cl2F6 |
| Smiles | FC(c1cnc(/C(/c2ccccc2)=N\Nc(ncc(C(F)(F)F)c2)c2Cl)c(Cl)c1)(F)F |
| InChI | InChI=1S/C19H10Cl2F6N4/c20-13-6-11(18(22,23)24)8-28-16(13)15(10-4-2-1-3-5-10)30-31-17-14(21)7-12(9-29-17)19(25,26)27/h1-9H,(H,29,31) |
| InChIK | WCDNNIUIJWDEKG-UHFFFAOYSA-N |
| TotalMolweight | 479.21 |
| Molweight | 479.21 |
| MonoisotopicMass | 478.018668 |
| CLogP | 7.3498 |
| CLogS | -6.912 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 314.49 |
| Relative PSA | 0.1428 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | -5.8939 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| 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 |
Click to Load Molecule:
1 - 3-chloro-N-[(Z)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-phenylmethylidene]amino]-5-(trifluoromethyl)pyridin-2-amine | 2 - 3-chloro-N-[(Z)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-phenylmethylidene]amino]-5-(trifluoromethyl)pyridin-2-amine
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