2,4,5-trichloro-N-[(Z)-(4-iodophenyl)methylideneamino]benzenesulfonamide
Formula:C13H8N2O2Cl3IS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2,4,5-trichloro-N-[(Z)-(4-iodophenyl)methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | 2,4,5-trichloro-N-[(Z)-(4-iodophenyl)methylideneamino]benzenesulfonamide |
| MolecularFormula | C13H8N2O2Cl3IS |
| Smiles | O=S(c(cc(c(Cl)c1)Cl)c1Cl)(N/N=C\c(cc1)ccc1I)=O |
| InChI | InChI=1S/C13H8Cl3IN2O2S/c14-10-5-12(16)13(6-11(10)15)22(20,21)19-18-7-8-1-3-9(17)4-2-8/h1-7,19H |
| InChIK | HXGOGNOSGAWMCJ-UHFFFAOYSA-N |
| TotalMolweight | 489.544 |
| Molweight | 489.544 |
| MonoisotopicMass | 487.841677 |
| CLogP | 4.5322 |
| CLogS | -5.14 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 270.36 |
| Relative PSA | 0.19067 |
| PolarSurfaceArea | 66.91 |
| Druglikeness | 2.5727 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| StereoCon |
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