2,6-dichloro-4-(trifluoromethyl)-N-[(Z)-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]methylideneamino]aniline
Formula:C19H11N3Cl2F6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,6-dichloro-4-(trifluoromethyl)-N-[(Z)-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]methylideneamino]aniline is not a drug-like molecule.
| MolName | 2,6-dichloro-4-(trifluoromethyl)-N-[(Z)-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]methylideneamino]aniline |
| MolecularFormula | C19H11N3Cl2F6 |
| Smiles | FC(c(cc1)ccc1-n1c(/C=N\Nc(c(Cl)cc(C(F)(F)F)c2)c2Cl)ccc1)(F)F |
| InChI | InChI=1S/C19H11Cl2F6N3/c20-15-8-12(19(25,26)27)9-16(21)17(15)29-28-10-14-2-1-7-30(14)13-5-3-11(4-6-13)18(22,23)24/h1-10,29H |
| InChIK | CBVGHTWRZBCQRV-UHFFFAOYSA-N |
| TotalMolweight | 466.211 |
| Molweight | 466.211 |
| MonoisotopicMass | 465.023419 |
| CLogP | 7.9884 |
| CLogS | -8.514 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 307.96 |
| Relative PSA | 0.096896 |
| PolarSurfaceArea | 29.32 |
| Druglikeness | -3.4357 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 9 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2,6-dichloro-4-(trifluoromethyl)-N-[(Z)-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]methylideneamino]aniline | 2 - 2,6-dichloro-4-(trifluoromethyl)-N-[(Z)-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]methylideneamino]aniline
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