N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-2-(trifluoromethyl)aniline
Formula:C21H17N2OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-2-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-2-(trifluoromethyl)aniline |
| MolecularFormula | C21H17N2OF3 |
| Smiles | FC(c(cccc1)c1N/N=C\c1cc(OCc2ccccc2)ccc1)(F)F |
| InChI | InChI=1S/C21H17F3N2O/c22-21(23,24)19-11-4-5-12-20(19)26-25-14-17-9-6-10-18(13-17)27-15-16-7-2-1-3-8-16/h1-14,26H,15H2 |
| InChIK | OCFRHNFABXVOBF-UHFFFAOYSA-N |
| TotalMolweight | 370.373 |
| Molweight | 370.373 |
| MonoisotopicMass | 370.129297 |
| CLogP | 7.0373 |
| CLogS | -5.268 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 282.22 |
| Relative PSA | 0.11682 |
| PolarSurfaceArea | 33.62 |
| Druglikeness | -5.5612 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-2-(trifluoromethyl)aniline | 2 - N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-2-(trifluoromethyl)aniline
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