N-[(Z)-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methylideneamino]-3-(trifluoromethyl)aniline
Formula:C19H12N2F6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methylideneamino]-3-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | N-[(Z)-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methylideneamino]-3-(trifluoromethyl)aniline |
| MolecularFormula | C19H12N2F6S |
| Smiles | FC(c(sc(/C=N\Nc1cc(C(F)(F)F)ccc1)c1)c1-c1ccccc1)(F)F |
| InChI | InChI=1S/C19H12F6N2S/c20-18(21,22)13-7-4-8-14(9-13)27-26-11-15-10-16(12-5-2-1-3-6-12)17(28-15)19(23,24)25/h1-11,27H |
| InChIK | KTVIPWQUISOZBY-UHFFFAOYSA-N |
| TotalMolweight | 414.372 |
| Molweight | 414.372 |
| MonoisotopicMass | 414.062536 |
| CLogP | 8.1455 |
| CLogS | -6.911 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 283.86 |
| Relative PSA | 0.15265 |
| PolarSurfaceArea | 52.63 |
| Druglikeness | -3.4245 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
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