[(E)-3-[3-(trifluoromethyl)anilino]prop-2-enylidene]-[3-(trifluoromethyl)phenyl]azanium
Formula:C17H13N2F6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-3-[3-(trifluoromethyl)anilino]prop-2-enylidene]-[3-(trifluoromethyl)phenyl]azanium is a drug-like molecule.
| MolName | [(E)-3-[3-(trifluoromethyl)anilino]prop-2-enylidene]-[3-(trifluoromethyl)phenyl]azanium |
| MolecularFormula | C17H13N2F6 |
| Smiles | FC(c1cccc(N/C=C/C=[NH+]/c2cccc(C(F)(F)F)c2)c1)(F)F |
| InChI | InChI=1S/C17H12F6N2/c18-16(19,20)12-4-1-6-14(10-12)24-8-3-9-25-15-7-2-5-13(11-15)17(21,22)23/h1-11,24H/p+1 |
| InChIK | RZUIQNCSIZJPGE-UHFFFAOYSA-O |
| TotalMolweight | 359.292 |
| Molweight | 359.292 |
| MonoisotopicMass | 359.098291 |
| CLogP | 4.0799 |
| CLogS | -4.952 |
| H Acceptors | 2 |
| H Donors | 2 |
| TotalSurfaceArea | 243.15 |
| Relative PSA | 0.047131 |
| PolarSurfaceArea | 26 |
| Druglikeness | -8.3575 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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