N-phenyl-N-[(Z)-(1,2,3,4-tetrafluorofluoren-9-ylidene)amino]aniline
Formula:C25H14N2F4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-phenyl-N-[(Z)-(1,2,3,4-tetrafluorofluoren-9-ylidene)amino]aniline is not a drug-like molecule.
| MolName | N-phenyl-N-[(Z)-(1,2,3,4-tetrafluorofluoren-9-ylidene)amino]aniline |
| MolecularFormula | C25H14N2F4 |
| Smiles | Fc(c(F)c1F)c(-c(cccc2)c2/C2=N/N(c3ccccc3)c3ccccc3)c2c1F |
| InChI | InChI=1S/C25H14F4N2/c26-21-19-17-13-7-8-14-18(17)25(20(19)22(27)24(29)23(21)28)30-31(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H |
| InChIK | FVWVUYYNXJQGCK-UHFFFAOYSA-N |
| TotalMolweight | 418.392 |
| Molweight | 418.392 |
| MonoisotopicMass | 418.10931 |
| CLogP | 7.215 |
| CLogS | -9.758 |
| H Acceptors | 2 |
| TotalSurfaceArea | 297.71 |
| Relative PSA | 0.050586 |
| PolarSurfaceArea | 15.6 |
| Druglikeness | 1.0207 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polyhalo aromatic ring |
| Shape Index | 0.3871 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 8 |
| StereoCon |
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1 - N-phenyl-N-[(Z)-(1,2,3,4-tetrafluorofluoren-9-ylidene)amino]aniline | 2 - N-phenyl-N-[(Z)-(1,2,3,4-tetrafluorofluoren-9-ylidene)amino]aniline
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