N-(3-chloro-4-fluorophenyl)-N'-(4-chlorophenyl)sulfonyl-4-fluorobenzenecarboximidamide
Formula:C19H12N2O2Cl2F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(3-chloro-4-fluorophenyl)-N'-(4-chlorophenyl)sulfonyl-4-fluorobenzenecarboximidamide is not a drug-like molecule.
| MolName | N-(3-chloro-4-fluorophenyl)-N'-(4-chlorophenyl)sulfonyl-4-fluorobenzenecarboximidamide |
| MolecularFormula | C19H12N2O2Cl2F2S |
| Smiles | O=S(c(cc1)ccc1Cl)(/N=C(\c(cc1)ccc1F)/Nc(cc1)cc(Cl)c1F)=O |
| InChI | InChI=1S/C19H12Cl2F2N2O2S/c20-13-3-8-16(9-4-13)28(26,27)25-19(12-1-5-14(22)6-2-12)24-15-7-10-18(23)17(21)11-15/h1-11H,(H,24,25) |
| InChIK | PIYQUGHKNHOZJL-UHFFFAOYSA-N |
| TotalMolweight | 441.284 |
| Molweight | 441.284 |
| MonoisotopicMass | 439.996458 |
| CLogP | 5.4233 |
| CLogS | -6.32 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 299.33 |
| Relative PSA | 0.17222 |
| PolarSurfaceArea | 66.91 |
| Druglikeness | -0.59143 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| StereoCon |
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