N'-[(2,6-dichlorophenyl)methoxy]-2-pyridin-2-ylsulfanylethanimidamide
Formula:C14H13N3OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(2,6-dichlorophenyl)methoxy]-2-pyridin-2-ylsulfanylethanimidamide is a drug-like molecule.
| MolName | N'-[(2,6-dichlorophenyl)methoxy]-2-pyridin-2-ylsulfanylethanimidamide |
| MolecularFormula | C14H13N3OCl2S |
| Smiles | N/C(/CSc1ncccc1)=N/OCc(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C14H13Cl2N3OS/c15-11-4-3-5-12(16)10(11)8-20-19-13(17)9-21-14-6-1-2-7-18-14/h1-7H,8-9H2,(H2,17,19) |
| InChIK | GLUFZQLLDJFZKN-UHFFFAOYSA-N |
| TotalMolweight | 342.249 |
| Molweight | 342.249 |
| MonoisotopicMass | 341.015636 |
| CLogP | 3.511 |
| CLogS | -4.389 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 249.12 |
| Relative PSA | 0.26188 |
| PolarSurfaceArea | 85.8 |
| Druglikeness | 1.2394 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N'-[(2,6-dichlorophenyl)methoxy]-2-pyridin-2-ylsulfanylethanimidamide | 2 - N'-[(2,6-dichlorophenyl)methoxy]-2-pyridin-2-ylsulfanylethanimidamide
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