N'-dianilinophosphinothioyl-2,2,2-trifluoro-N-phenylethanimidamide
Formula:C20H18N4F3PS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N'-dianilinophosphinothioyl-2,2,2-trifluoro-N-phenylethanimidamide is not a drug-like molecule.
| MolName | N'-dianilinophosphinothioyl-2,2,2-trifluoro-N-phenylethanimidamide |
| MolecularFormula | C20H18N4F3PS |
| Smiles | FC(/C(/Nc1ccccc1)=N\P(Nc1ccccc1)(Nc1ccccc1)=S)(F)F |
| InChI | InChI=1S/C20H18F3N4PS/c21-20(22,23)19(24-16-10-4-1-5-11-16)27-28(29,25-17-12-6-2-7-13-17)26-18-14-8-3-9-15-18/h1-15H,(H3,24,25,26,27,29) |
| InChIK | ILWQVOYDHCBLSM-UHFFFAOYSA-N |
| TotalMolweight | 434.425 |
| Molweight | 434.425 |
| MonoisotopicMass | 434.094187 |
| CLogP | 5.4171 |
| CLogS | -8.902 |
| H Acceptors | 4 |
| H Donors | 3 |
| TotalSurfaceArea | 318.32 |
| Relative PSA | 0.24463 |
| PolarSurfaceArea | 90.35 |
| Druglikeness | -14.368 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 13 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N'-dianilinophosphinothioyl-2,2,2-trifluoro-N-phenylethanimidamide | 2 - N'-dianilinophosphinothioyl-2,2,2-trifluoro-N-phenylethanimidamide
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