N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(trifluoromethyl)aniline
Formula:C18H13N2F3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(trifluoromethyl)aniline |
| MolecularFormula | C18H13N2F3 |
| Smiles | FC(c(cccc1)c1N/N=C\c1cccc2ccccc12)(F)F |
| InChI | InChI=1S/C18H13F3N2/c19-18(20,21)16-10-3-4-11-17(16)23-22-12-14-8-5-7-13-6-1-2-9-15(13)14/h1-12,23H |
| InChIK | RXAAYKJMYWAVDZ-UHFFFAOYSA-N |
| TotalMolweight | 314.309 |
| Molweight | 314.309 |
| MonoisotopicMass | 314.103082 |
| CLogP | 6.8836 |
| CLogS | -5.533 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 233.3 |
| Relative PSA | 0.098457 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | -4.7675 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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