N'-(benzenesulfonyl)-2,2,2-trichloro-N-(3-fluorophenyl)ethanimidamide
Formula:C14H10N2O2Cl3FS
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
N'-(benzenesulfonyl)-2,2,2-trichloro-N-(3-fluorophenyl)ethanimidamide is a drug-like molecule.
| MolName | N'-(benzenesulfonyl)-2,2,2-trichloro-N-(3-fluorophenyl)ethanimidamide |
| MolecularFormula | C14H10N2O2Cl3FS |
| Smiles | O=S(c1ccccc1)(/N=C(\C(Cl)(Cl)Cl)/Nc1cc(F)ccc1)=O |
| InChI | InChI=1S/C14H10Cl3FN2O2S/c15-14(16,17)13(19-11-6-4-5-10(18)9-11)20-23(21,22)12-7-2-1-3-8-12/h1-9H,(H,19,20) |
| InChIK | WPBXMMFBWBPRIS-UHFFFAOYSA-N |
| TotalMolweight | 395.668 |
| Molweight | 395.668 |
| MonoisotopicMass | 393.951257 |
| CLogP | 4.1112 |
| CLogS | -4.565 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 259.05 |
| Relative PSA | 0.199 |
| PolarSurfaceArea | 66.91 |
| Druglikeness | -8.8818 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N'-(benzenesulfonyl)-2,2,2-trichloro-N-(3-fluorophenyl)ethanimidamide | 2 - N'-(benzenesulfonyl)-2,2,2-trichloro-N-(3-fluorophenyl)ethanimidamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off