N-[(Z)-(4-bromophenyl)methylideneamino]-2-chloro-5-(trifluoromethyl)aniline
Formula:C14H9N2BrClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-2-chloro-5-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-2-chloro-5-(trifluoromethyl)aniline |
| MolecularFormula | C14H9N2BrClF3 |
| Smiles | FC(c(cc1)cc(N/N=C\c(cc2)ccc2Br)c1Cl)(F)F |
| InChI | InChI=1S/C14H9BrClF3N2/c15-11-4-1-9(2-5-11)8-20-21-13-7-10(14(17,18)19)3-6-12(13)16/h1-8,21H |
| InChIK | YDDCDLCGKGHJCK-UHFFFAOYSA-N |
| TotalMolweight | 377.59 |
| Molweight | 377.59 |
| MonoisotopicMass | 375.95897 |
| CLogP | 7.0204 |
| CLogS | -5.497 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 232.75 |
| Relative PSA | 0.09869 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | -6.5955 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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