N'-hydroxy-3-(thiophen-2-ylsulfonylmethyl)benzenecarboximidamide
Formula:C12H12N2O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-hydroxy-3-(thiophen-2-ylsulfonylmethyl)benzenecarboximidamide is a drug-like molecule.
| MolName | N'-hydroxy-3-(thiophen-2-ylsulfonylmethyl)benzenecarboximidamide |
| MolecularFormula | C12H12N2O3S2 |
| Smiles | N/C(/c1cccc(CS(c2cccs2)(=O)=O)c1)=N/O |
| InChI | InChI=1S/C12H12N2O3S2/c13-12(14-15)10-4-1-3-9(7-10)8-19(16,17)11-5-2-6-18-11/h1-7,15H,8H2,(H2,13,14) |
| InChIK | WZKJEGJEPWADSI-UHFFFAOYSA-N |
| TotalMolweight | 296.37 |
| Molweight | 296.37 |
| MonoisotopicMass | 296.028933 |
| CLogP | 1.8436 |
| CLogS | -3.995 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 209.14 |
| Relative PSA | 0.42469 |
| PolarSurfaceArea | 129.37 |
| Druglikeness | -3.1528 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| StereoCon |
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