N'-[(2,6-dichlorophenyl)methoxy]pyridine-3-carboximidamide
Formula:C13H11N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(2,6-dichlorophenyl)methoxy]pyridine-3-carboximidamide is a drug-like molecule.
| MolName | N'-[(2,6-dichlorophenyl)methoxy]pyridine-3-carboximidamide |
| MolecularFormula | C13H11N3OCl2 |
| Smiles | N/C(/c1cnccc1)=N/OCc(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C13H11Cl2N3O/c14-11-4-1-5-12(15)10(11)8-19-18-13(16)9-3-2-6-17-7-9/h1-7H,8H2,(H2,16,18) |
| InChIK | XINDGSODHVEWGM-UHFFFAOYSA-N |
| TotalMolweight | 296.156 |
| Molweight | 296.156 |
| MonoisotopicMass | 295.027916 |
| CLogP | 3.2008 |
| CLogS | -4.084 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 217.87 |
| Relative PSA | 0.21917 |
| PolarSurfaceArea | 60.5 |
| Druglikeness | 0.68975 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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