2,3,4,5,6-pentafluoro-N-[(Z)-[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]aniline
Formula:C22H13N3F6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,3,4,5,6-pentafluoro-N-[(Z)-[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]aniline is not a drug-like molecule.
| MolName | 2,3,4,5,6-pentafluoro-N-[(Z)-[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]aniline |
| MolecularFormula | C22H13N3F6 |
| Smiles | Fc1c(Cn2c(cccc3)c3c(/C=N\Nc(c(F)c(c(F)c3F)F)c3F)c2)cccc1 |
| InChI | InChI=1S/C22H13F6N3/c23-15-7-3-1-5-12(15)10-31-11-13(14-6-2-4-8-16(14)31)9-29-30-22-20(27)18(25)17(24)19(26)21(22)28/h1-9,11,30H,10H2 |
| InChIK | OCLZJAXSUFFYAO-UHFFFAOYSA-N |
| TotalMolweight | 433.354 |
| Molweight | 433.354 |
| MonoisotopicMass | 433.101365 |
| CLogP | 6.9754 |
| CLogS | -6.011 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 304.66 |
| Relative PSA | 0.097945 |
| PolarSurfaceArea | 29.32 |
| Druglikeness | 3.0597 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2,3,4,5,6-pentafluoro-N-[(Z)-[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]aniline | 2 - 2,3,4,5,6-pentafluoro-N-[(Z)-[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]aniline
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