N-[(Z)-(4-bromophenyl)methylideneamino]-3-(trifluoromethyl)aniline
Formula:C14H10N2BrF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-3-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-3-(trifluoromethyl)aniline |
| MolecularFormula | C14H10N2BrF3 |
| Smiles | FC(c1cccc(N/N=C\c(cc2)ccc2Br)c1)(F)F |
| InChI | InChI=1S/C14H10BrF3N2/c15-12-6-4-10(5-7-12)9-19-20-13-3-1-2-11(8-13)14(16,17)18/h1-9,20H |
| InChIK | PMNACFVNGQDOSO-UHFFFAOYSA-N |
| TotalMolweight | 343.145 |
| Molweight | 343.145 |
| MonoisotopicMass | 341.997943 |
| CLogP | 6.4144 |
| CLogS | -4.761 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 217.33 |
| Relative PSA | 0.10569 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | -6.5575 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - N-[(Z)-(4-bromophenyl)methylideneamino]-3-(trifluoromethyl)aniline | 2 - N-[(Z)-(4-bromophenyl)methylideneamino]-3-(trifluoromethyl)aniline
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