N'-(benzenesulfonyl)-2,2,2-trifluoro-N-[4-(trifluoromethoxy)phenyl]ethanimidamide
Formula:C15H10N2O3F6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(benzenesulfonyl)-2,2,2-trifluoro-N-[4-(trifluoromethoxy)phenyl]ethanimidamide is a drug-like molecule.
| MolName | N'-(benzenesulfonyl)-2,2,2-trifluoro-N-[4-(trifluoromethoxy)phenyl]ethanimidamide |
| MolecularFormula | C15H10N2O3F6S |
| Smiles | O=S(c1ccccc1)(/N=C(/C(F)(F)F)\Nc(cc1)ccc1OC(F)(F)F)=O |
| InChI | InChI=1S/C15H10F6N2O3S/c16-14(17,18)13(23-27(24,25)12-4-2-1-3-5-12)22-10-6-8-11(9-7-10)26-15(19,20)21/h1-9H,(H,22,23) |
| InChIK | WTRHOKRIJYZKGK-UHFFFAOYSA-N |
| TotalMolweight | 412.309 |
| Molweight | 412.309 |
| MonoisotopicMass | 412.031631 |
| CLogP | 4.1492 |
| CLogS | -4.813 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 264.95 |
| Relative PSA | 0.23231 |
| PolarSurfaceArea | 76.14 |
| Druglikeness | -23.585 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 9 |
| BasicNitrogens | 1 |
| StereoCon |
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