N'-(4-chlorophenyl)sulfonyl-2-pyridin-1-ium-1-ylethanimidamide
Formula:C13H13N3O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(4-chlorophenyl)sulfonyl-2-pyridin-1-ium-1-ylethanimidamide is a drug-like molecule.
| MolName | N'-(4-chlorophenyl)sulfonyl-2-pyridin-1-ium-1-ylethanimidamide |
| MolecularFormula | C13H13N3O2ClS |
| Smiles | N/C(/C[n+]1ccccc1)=N\S(c(cc1)ccc1Cl)(=O)=O |
| InChI | InChI=1S/C13H13ClN3O2S/c14-11-4-6-12(7-5-11)20(18,19)16-13(15)10-17-8-2-1-3-9-17/h1-9H,10H2,(H2,15,16)/q+1 |
| InChIK | YYKZFHVIRFZWOA-UHFFFAOYSA-N |
| TotalMolweight | 310.784 |
| Molweight | 310.784 |
| MonoisotopicMass | 310.041699 |
| CLogP | -2.8744 |
| CLogS | -1.868 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 219.57 |
| Relative PSA | 0.2647 |
| PolarSurfaceArea | 84.78 |
| Druglikeness | 1.7685 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| 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 | 5 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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