3-[(E)-N-hydroxy-C-phenylcarbonimidoyl]benzenesulfonamide
Formula:C13H12N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(E)-N-hydroxy-C-phenylcarbonimidoyl]benzenesulfonamide is a drug-like molecule.
| MolName | 3-[(E)-N-hydroxy-C-phenylcarbonimidoyl]benzenesulfonamide |
| MolecularFormula | C13H12N2O3S |
| Smiles | NS(c1cc(/C(/c2ccccc2)=N/O)ccc1)(=O)=O |
| InChI | InChI=1S/C13H12N2O3S/c14-19(17,18)12-8-4-7-11(9-12)13(15-16)10-5-2-1-3-6-10/h1-9,16H,(H2,14,17,18) |
| InChIK | POFDTTVOMXVLKR-UHFFFAOYSA-N |
| TotalMolweight | 276.315 |
| Molweight | 276.315 |
| MonoisotopicMass | 276.056863 |
| CLogP | 2.175 |
| CLogS | -3.99 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 199.44 |
| Relative PSA | 0.34326 |
| PolarSurfaceArea | 101.13 |
| Druglikeness | -2.5583 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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