2-nitro-N-[(Z)-[4-(trifluoromethoxy)phenyl]methylideneamino]-4-(trifluoromethyl)aniline
Formula:C15H9N3O3F6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-nitro-N-[(Z)-[4-(trifluoromethoxy)phenyl]methylideneamino]-4-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | 2-nitro-N-[(Z)-[4-(trifluoromethoxy)phenyl]methylideneamino]-4-(trifluoromethyl)aniline |
| MolecularFormula | C15H9N3O3F6 |
| Smiles | [O-][N+](c(cc(C(F)(F)F)cc1)c1N/N=C\c(cc1)ccc1OC(F)(F)F)=O |
| InChI | InChI=1S/C15H9F6N3O3/c16-14(17,18)10-3-6-12(13(7-10)24(25)26)23-22-8-9-1-4-11(5-2-9)27-15(19,20)21/h1-8,23H |
| InChIK | VTYWRRJCPPECOR-UHFFFAOYSA-N |
| TotalMolweight | 393.242 |
| Molweight | 393.242 |
| MonoisotopicMass | 393.05481 |
| CLogP | 5.8666 |
| CLogS | -5.41 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 261.83 |
| Relative PSA | 0.2421 |
| PolarSurfaceArea | 79.44 |
| Druglikeness | -13.999 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-nitro-N-[(Z)-[4-(trifluoromethoxy)phenyl]methylideneamino]-4-(trifluoromethyl)aniline | 2 - 2-nitro-N-[(Z)-[4-(trifluoromethoxy)phenyl]methylideneamino]-4-(trifluoromethyl)aniline
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