| MolName | N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline |
| MolecularFormula | C23H12N3Cl2F7 |
| Smiles | FC(c(c(F)c(c(N/N=C/c1cn(Cc(ccc(Cl)c2)c2Cl)c2c1cccc2)c1F)F)c1F)(F)F |
| InChI | InChI=1S/C23H12Cl2F7N3/c24-13-6-5-11(15(25)7-13)9-35-10-12(14-3-1-2-4-16(14)35)8-33-34-22-20(28)18(26)17(23(30,31)32)19(27)21(22)29/h1-8,10,34H,9H2 |
| InChIK | YTDONTYBJJWRCK-UHFFFAOYSA-N |
| TotalMolweight | 534.261 |
| Molweight | 534.261 |
| MonoisotopicMass | 533.029647 |
| CLogP | 8.8341 |
| CLogS | -7.633 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 352.26 |
| Relative PSA | 0.08471 |
| PolarSurfaceArea | 29.32 |
| Druglikeness | -2.8061 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline | 2 - N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline