1-cyano-N'-[4-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]iminomethanimidamide
Formula:C16H9N5F6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
1-cyano-N'-[4-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]iminomethanimidamide is not a drug-like molecule.
| MolName | 1-cyano-N'-[4-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]iminomethanimidamide |
| MolecularFormula | C16H9N5F6 |
| Smiles | N#C/C(/N=N/c1ccc(C(F)(F)F)cc1)=N/Nc1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C16H9F6N5/c17-15(18,19)10-1-5-12(6-2-10)24-26-14(9-23)27-25-13-7-3-11(4-8-13)16(20,21)22/h1-8,24H |
| InChIK | IAXHFRVHDQLUHE-UHFFFAOYSA-N |
| TotalMolweight | 385.27 |
| Molweight | 385.27 |
| MonoisotopicMass | 385.076213 |
| CLogP | 6.0535 |
| CLogS | -5.492 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 271.1 |
| Relative PSA | 0.21966 |
| PolarSurfaceArea | 72.9 |
| Druglikeness | -14.633 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | azo |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| StereoCon |
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