[4-[(Z)-hydroxyiminomethyl]phenyl] benzenesulfonate
Formula:C13H11NO4S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[4-[(Z)-hydroxyiminomethyl]phenyl] benzenesulfonate is a drug-like molecule.
| MolName | [4-[(Z)-hydroxyiminomethyl]phenyl] benzenesulfonate |
| MolecularFormula | C13H11NO4S |
| Smiles | O/N=C\c(cc1)ccc1OS(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C13H11NO4S/c15-14-10-11-6-8-12(9-7-11)18-19(16,17)13-4-2-1-3-5-13/h1-10,15H |
| InChIK | VTJUIQXZNXQFNV-UHFFFAOYSA-N |
| TotalMolweight | 277.299 |
| Molweight | 277.299 |
| MonoisotopicMass | 277.040879 |
| CLogP | 3.0932 |
| CLogS | -3.089 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 202.71 |
| Relative PSA | 0.31173 |
| PolarSurfaceArea | 84.34 |
| Druglikeness | -5.622 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| StereoCon |
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