N'-(benzenesulfonyl)-N-(2,3,5-trichloro-4-hydroxyphenyl)benzenecarboximidamide
Formula:C19H13N2O3Cl3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N'-(benzenesulfonyl)-N-(2,3,5-trichloro-4-hydroxyphenyl)benzenecarboximidamide is not a drug-like molecule.
| MolName | N'-(benzenesulfonyl)-N-(2,3,5-trichloro-4-hydroxyphenyl)benzenecarboximidamide |
| MolecularFormula | C19H13N2O3Cl3S |
| Smiles | Oc(c(Cl)c(c(N/C(/c1ccccc1)=N\S(c1ccccc1)(=O)=O)c1)Cl)c1Cl |
| InChI | InChI=1S/C19H13Cl3N2O3S/c20-14-11-15(16(21)17(22)18(14)25)23-19(12-7-3-1-4-8-12)24-28(26,27)13-9-5-2-6-10-13/h1-11,25H,(H,23,24) |
| InChIK | UECHFJSJKVWKFR-UHFFFAOYSA-N |
| TotalMolweight | 455.748 |
| Molweight | 455.748 |
| MonoisotopicMass | 453.971244 |
| CLogP | 5.482 |
| CLogS | -6.132 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 308.4 |
| Relative PSA | 0.20963 |
| PolarSurfaceArea | 87.14 |
| Druglikeness | -5.6915 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | polyhalo aromatic ring |
| Shape Index | 0.46429 |
| 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 | 5 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N'-(benzenesulfonyl)-N-(2,3,5-trichloro-4-hydroxyphenyl)benzenecarboximidamide | 2 - N'-(benzenesulfonyl)-N-(2,3,5-trichloro-4-hydroxyphenyl)benzenecarboximidamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off