N'-(4-bromophenyl)sulfonyl-N-(3-chloro-4-fluorophenyl)benzenecarboximidamide
Formula:C19H13N2O2BrClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(4-bromophenyl)sulfonyl-N-(3-chloro-4-fluorophenyl)benzenecarboximidamide is not a drug-like molecule.
| MolName | N'-(4-bromophenyl)sulfonyl-N-(3-chloro-4-fluorophenyl)benzenecarboximidamide |
| MolecularFormula | C19H13N2O2BrClFS |
| Smiles | O=S(c(cc1)ccc1Br)(/N=C(\c1ccccc1)/Nc(cc1)cc(Cl)c1F)=O |
| InChI | InChI=1S/C19H13BrClFN2O2S/c20-14-6-9-16(10-7-14)27(25,26)24-19(13-4-2-1-3-5-13)23-15-8-11-18(22)17(21)12-15/h1-12H,(H,23,24) |
| InChIK | IHWQFVVBIKHBMG-UHFFFAOYSA-N |
| TotalMolweight | 467.745 |
| Molweight | 467.745 |
| MonoisotopicMass | 465.955364 |
| CLogP | 5.4417 |
| CLogS | -6.104 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 296.19 |
| Relative PSA | 0.17404 |
| PolarSurfaceArea | 66.91 |
| Druglikeness | -3.3743 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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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