2-nitro-4-(trifluoromethyl)-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]aniline
Formula:C15H9N3O2F6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-nitro-4-(trifluoromethyl)-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]aniline is not a drug-like molecule.
| MolName | 2-nitro-4-(trifluoromethyl)-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]aniline |
| MolecularFormula | C15H9N3O2F6 |
| Smiles | [O-][N+](c(cc(C(F)(F)F)cc1)c1N/N=C\c1cc(C(F)(F)F)ccc1)=O |
| InChI | InChI=1S/C15H9F6N3O2/c16-14(17,18)10-3-1-2-9(6-10)8-22-23-12-5-4-11(15(19,20)21)7-13(12)24(25)26/h1-8,23H |
| InChIK | IXBYZKZLLIWOFB-UHFFFAOYSA-N |
| TotalMolweight | 377.243 |
| Molweight | 377.243 |
| MonoisotopicMass | 377.059895 |
| CLogP | 5.6159 |
| CLogS | -5.165 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 251.83 |
| Relative PSA | 0.21201 |
| PolarSurfaceArea | 70.21 |
| Druglikeness | -10.322 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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