N-[(Z)-benzylideneamino]-2,4,5-trichlorobenzenesulfonamide
Formula:C13H9N2O2Cl3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-benzylideneamino]-2,4,5-trichlorobenzenesulfonamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2,4,5-trichlorobenzenesulfonamide |
| MolecularFormula | C13H9N2O2Cl3S |
| Smiles | O=S(c(c(Cl)c1)cc(Cl)c1Cl)(N/N=C\c1ccccc1)=O |
| InChI | InChI=1S/C13H9Cl3N2O2S/c14-10-6-12(16)13(7-11(10)15)21(19,20)18-17-8-9-4-2-1-3-5-9/h1-8,18H |
| InChIK | PRFFWPIVYGQYHF-UHFFFAOYSA-N |
| TotalMolweight | 363.651 |
| Molweight | 363.651 |
| MonoisotopicMass | 361.945029 |
| CLogP | 4.0951 |
| CLogS | -4.124 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 244.08 |
| Relative PSA | 0.2112 |
| PolarSurfaceArea | 66.91 |
| Druglikeness | 2.1424 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| StereoCon |
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