4-bromo-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzenesulfonamide
Formula:C13H11N2O3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzenesulfonamide |
| MolecularFormula | C13H11N2O3BrS |
| Smiles | Oc1cccc(/C=N\NS(c(cc2)ccc2Br)(=O)=O)c1 |
| InChI | InChI=1S/C13H11BrN2O3S/c14-11-4-6-13(7-5-11)20(18,19)16-15-9-10-2-1-3-12(17)8-10/h1-9,16-17H |
| InChIK | YEHJQDMIKBIYJG-UHFFFAOYSA-N |
| TotalMolweight | 355.211 |
| Molweight | 355.211 |
| MonoisotopicMass | 353.967374 |
| CLogP | 2.6566 |
| CLogS | -2.454 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 222.8 |
| Relative PSA | 0.29017 |
| PolarSurfaceArea | 87.14 |
| Druglikeness | 0.74998 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - 4-bromo-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzenesulfonamide | 2 - 4-bromo-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzenesulfonamide
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