2-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
Formula:C18H13N2O2ClF2S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-N'-thiophen-2-ylsulfonylbenzenecarboximidamide is not a drug-like molecule.
| MolName | 2-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-N'-thiophen-2-ylsulfonylbenzenecarboximidamide |
| MolecularFormula | C18H13N2O2ClF2S3 |
| Smiles | O=S(c1cccs1)(/N=C(\c(cccc1)c1Cl)/Nc(cc1)ccc1SC(F)F)=O |
| InChI | InChI=1S/C18H13ClF2N2O2S3/c19-15-5-2-1-4-14(15)17(23-28(24,25)16-6-3-11-26-16)22-12-7-9-13(10-8-12)27-18(20)21/h1-11,18H,(H,22,23) |
| InChIK | XABATNZOBKFSJF-UHFFFAOYSA-N |
| TotalMolweight | 458.96 |
| Molweight | 458.96 |
| MonoisotopicMass | 457.979571 |
| CLogP | 6.4997 |
| CLogS | -6.342 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 309.84 |
| Relative PSA | 0.28854 |
| PolarSurfaceArea | 120.45 |
| Druglikeness | -0.66963 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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