N'-hydroxy-3-(pyridin-2-ylsulfonylmethyl)benzenecarboximidamide
Formula:C13H13N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-hydroxy-3-(pyridin-2-ylsulfonylmethyl)benzenecarboximidamide is a drug-like molecule.
| MolName | N'-hydroxy-3-(pyridin-2-ylsulfonylmethyl)benzenecarboximidamide |
| MolecularFormula | C13H13N3O3S |
| Smiles | N/C(/c1cccc(CS(c2ncccc2)(=O)=O)c1)=N/O |
| InChI | InChI=1S/C13H13N3O3S/c14-13(16-17)11-5-3-4-10(8-11)9-20(18,19)12-6-1-2-7-15-12/h1-8,17H,9H2,(H2,14,16) |
| InChIK | BYFZDEYKHBAJDR-UHFFFAOYSA-N |
| TotalMolweight | 291.33 |
| Molweight | 291.33 |
| MonoisotopicMass | 291.067762 |
| CLogP | 0.951 |
| CLogS | -3.046 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 211.96 |
| Relative PSA | 0.37474 |
| PolarSurfaceArea | 114.02 |
| Druglikeness | -4.0411 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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