N-[3,4-bis(trifluoromethyl)phenyl]-N'-(4-fluorophenyl)sulfonylbenzenecarboximidamide
Formula:C21H13N2O2F7S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[3,4-bis(trifluoromethyl)phenyl]-N'-(4-fluorophenyl)sulfonylbenzenecarboximidamide is not a drug-like molecule.
| MolName | N-[3,4-bis(trifluoromethyl)phenyl]-N'-(4-fluorophenyl)sulfonylbenzenecarboximidamide |
| MolecularFormula | C21H13N2O2F7S |
| Smiles | O=S(c(cc1)ccc1F)(/N=C(\c1ccccc1)/Nc1cc(C(F)(F)F)c(C(F)(F)F)cc1)=O |
| InChI | InChI=1S/C21H13F7N2O2S/c22-14-6-9-16(10-7-14)33(31,32)30-19(13-4-2-1-3-5-13)29-15-8-11-17(20(23,24)25)18(12-15)21(26,27)28/h1-12H,(H,29,30) |
| InChIK | YDFFQKTXAYDZON-UHFFFAOYSA-N |
| TotalMolweight | 490.398 |
| Molweight | 490.398 |
| MonoisotopicMass | 490.058594 |
| CLogP | 5.8071 |
| CLogS | -6.09 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 321.06 |
| Relative PSA | 0.16056 |
| PolarSurfaceArea | 66.91 |
| Druglikeness | -6.8937 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 9 |
| BasicNitrogens | 1 |
| StereoCon |
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