N-[(E)-3-[3,5-bis(trifluoromethyl)phenyl]iminoprop-1-enyl]-3,5-bis(trifluoromethyl)aniline
Formula:C19H10N2F12
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-3-[3,5-bis(trifluoromethyl)phenyl]iminoprop-1-enyl]-3,5-bis(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | N-[(E)-3-[3,5-bis(trifluoromethyl)phenyl]iminoprop-1-enyl]-3,5-bis(trifluoromethyl)aniline |
| MolecularFormula | C19H10N2F12 |
| Smiles | FC(c1cc(N/C=C/C=N/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1)(F)F |
| InChI | InChI=1S/C19H10F12N2/c20-16(21,22)10-4-11(17(23,24)25)7-14(6-10)32-2-1-3-33-15-8-12(18(26,27)28)5-13(9-15)19(29,30)31/h1-9,32H |
| InChIK | YRUIBEKLLDGFKP-UHFFFAOYSA-N |
| TotalMolweight | 494.278 |
| Molweight | 494.278 |
| MonoisotopicMass | 494.065234 |
| CLogP | 5.6156 |
| CLogS | -6.508 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 313.58 |
| Relative PSA | 0.073251 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | -7.0808 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 14 |
| Electronegative Atoms | 14 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 16 |
| StereoCon |
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1 - N-[(E)-3-[3,5-bis(trifluoromethyl)phenyl]iminoprop-1-enyl]-3,5-bis(trifluoromethyl)aniline | 2 - N-[(E)-3-[3,5-bis(trifluoromethyl)phenyl]iminoprop-1-enyl]-3,5-bis(trifluoromethyl)aniline
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