2-chloro-N-[(Z)-(3,4-difluorophenyl)methylideneamino]-5-(trifluoromethyl)aniline
Formula:C14H8N2ClF5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-N-[(Z)-(3,4-difluorophenyl)methylideneamino]-5-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | 2-chloro-N-[(Z)-(3,4-difluorophenyl)methylideneamino]-5-(trifluoromethyl)aniline |
| MolecularFormula | C14H8N2ClF5 |
| Smiles | FC(c(cc1)cc(N/N=C\c(cc2)cc(F)c2F)c1Cl)(F)F |
| InChI | InChI=1S/C14H8ClF5N2/c15-10-3-2-9(14(18,19)20)6-13(10)22-21-7-8-1-4-11(16)12(17)5-8/h1-7,22H |
| InChIK | CBDMUBFEVSUOGR-UHFFFAOYSA-N |
| TotalMolweight | 334.675 |
| Molweight | 334.675 |
| MonoisotopicMass | 334.029615 |
| CLogP | 6.4968 |
| CLogS | -5.291 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 226.82 |
| Relative PSA | 0.10127 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | -4.8055 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-chloro-N-[(Z)-(3,4-difluorophenyl)methylideneamino]-5-(trifluoromethyl)aniline | 2 - 2-chloro-N-[(Z)-(3,4-difluorophenyl)methylideneamino]-5-(trifluoromethyl)aniline
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