N'-[(2-chloro-6-fluorophenyl)methoxy]pyridine-4-carboximidamide
Formula:C13H11N3OClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(2-chloro-6-fluorophenyl)methoxy]pyridine-4-carboximidamide is a drug-like molecule.
| MolName | N'-[(2-chloro-6-fluorophenyl)methoxy]pyridine-4-carboximidamide |
| MolecularFormula | C13H11N3OClF |
| Smiles | N/C(/c1ccncc1)=N/OCc(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C13H11ClFN3O/c14-11-2-1-3-12(15)10(11)8-19-18-13(16)9-4-6-17-7-5-9/h1-7H,8H2,(H2,16,18) |
| InChIK | RWGFRSVAAWIFED-UHFFFAOYSA-N |
| TotalMolweight | 279.701 |
| Molweight | 279.701 |
| MonoisotopicMass | 279.057467 |
| CLogP | 2.6956 |
| CLogS | -3.662 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 208.8 |
| Relative PSA | 0.22869 |
| PolarSurfaceArea | 60.5 |
| Druglikeness | -0.65025 |
| 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 | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N'-[(2-chloro-6-fluorophenyl)methoxy]pyridine-4-carboximidamide | 2 - N'-[(2-chloro-6-fluorophenyl)methoxy]pyridine-4-carboximidamide
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