2,3,5,6-tetrafluoro-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-4-(trifluoromethyl)aniline
Formula:C23H13N3F8
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,3,5,6-tetrafluoro-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-4-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | 2,3,5,6-tetrafluoro-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-4-(trifluoromethyl)aniline |
| MolecularFormula | C23H13N3F8 |
| Smiles | FC(c(c(F)c(c(N/N=C\c1cn(Cc(cc2)ccc2F)c2c1cccc2)c1F)F)c1F)(F)F |
| InChI | InChI=1S/C23H13F8N3/c24-14-7-5-12(6-8-14)10-34-11-13(15-3-1-2-4-16(15)34)9-32-33-22-20(27)18(25)17(23(29,30)31)19(26)21(22)28/h1-9,11,33H,10H2 |
| InChIK | CPRIBWAGMCWIIK-UHFFFAOYSA-N |
| TotalMolweight | 483.361 |
| Molweight | 483.361 |
| MonoisotopicMass | 483.098171 |
| CLogP | 7.7229 |
| CLogS | -6.475 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 327.77 |
| Relative PSA | 0.091039 |
| PolarSurfaceArea | 29.32 |
| Druglikeness | -2.7903 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2,3,5,6-tetrafluoro-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-4-(trifluoromethyl)aniline | 2 - 2,3,5,6-tetrafluoro-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-4-(trifluoromethyl)aniline
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