N'-(4-bromophenyl)sulfonyl-N-(3,5-dichloro-4-hydroxyphenyl)benzenecarboximidamide
Formula:C19H13N2O3BrCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(4-bromophenyl)sulfonyl-N-(3,5-dichloro-4-hydroxyphenyl)benzenecarboximidamide is not a drug-like molecule.
| MolName | N'-(4-bromophenyl)sulfonyl-N-(3,5-dichloro-4-hydroxyphenyl)benzenecarboximidamide |
| MolecularFormula | C19H13N2O3BrCl2S |
| Smiles | Oc(c(Cl)cc(N/C(/c1ccccc1)=N\S(c(cc1)ccc1Br)(=O)=O)c1)c1Cl |
| InChI | InChI=1S/C19H13BrCl2N2O3S/c20-13-6-8-15(9-7-13)28(26,27)24-19(12-4-2-1-3-5-12)23-14-10-16(21)18(25)17(22)11-14/h1-11,25H,(H,23,24) |
| InChIK | VTPLQLFEYUAJEQ-UHFFFAOYSA-N |
| TotalMolweight | 500.199 |
| Molweight | 500.199 |
| MonoisotopicMass | 497.920728 |
| CLogP | 5.6012 |
| CLogS | -6.23 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 311.61 |
| Relative PSA | 0.20747 |
| PolarSurfaceArea | 87.14 |
| Druglikeness | 0.15838 |
| 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 | 2 |
| Symmetricatoms | 8 |
| BasicNitrogens | 1 |
| StereoCon |
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