2-chloro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-5-(trifluoromethyl)aniline
Formula:C21H16N2OClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-5-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | 2-chloro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-5-(trifluoromethyl)aniline |
| MolecularFormula | C21H16N2OClF3 |
| Smiles | FC(c(cc1)cc(N/N=C\c2cc(OCc3ccccc3)ccc2)c1Cl)(F)F |
| InChI | InChI=1S/C21H16ClF3N2O/c22-19-10-9-17(21(23,24)25)12-20(19)27-26-13-16-7-4-8-18(11-16)28-14-15-5-2-1-3-6-15/h1-13,27H,14H2 |
| InChIK | ZEJDAFHYKUKQFR-UHFFFAOYSA-N |
| TotalMolweight | 404.818 |
| Molweight | 404.818 |
| MonoisotopicMass | 404.090324 |
| CLogP | 7.6433 |
| CLogS | -6.004 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 297.64 |
| Relative PSA | 0.11077 |
| PolarSurfaceArea | 33.62 |
| Druglikeness | -5.5175 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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 - 2-chloro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-5-(trifluoromethyl)aniline | 2 - 2-chloro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-5-(trifluoromethyl)aniline
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