2-chloro-5-(trifluoromethyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
Formula:C15H9N2ClF6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-5-(trifluoromethyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline is not a drug-like molecule.
| MolName | 2-chloro-5-(trifluoromethyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline |
| MolecularFormula | C15H9N2ClF6 |
| Smiles | FC(c(cc1)cc(N/N=C\c2c(C(F)(F)F)cccc2)c1Cl)(F)F |
| InChI | InChI=1S/C15H9ClF6N2/c16-12-6-5-10(14(17,18)19)7-13(12)24-23-8-9-3-1-2-4-11(9)15(20,21)22/h1-8,24H |
| InChIK | NHXQHSXKLGZSHF-UHFFFAOYSA-N |
| TotalMolweight | 366.691 |
| Molweight | 366.691 |
| MonoisotopicMass | 366.035843 |
| CLogP | 7.1435 |
| CLogS | -5.441 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 243.58 |
| Relative PSA | 0.094302 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | -4.8055 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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